SCHEMBL290117

SCHEMBL290117

Ic1ccnc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
NUDT1 P36639 3/20 0.45
XDH P47989 2/20 0.44
RET P07949 1/20 0.44
PI4KA P42356 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29506132 1.00 NOS1 (0.47) NOS1PIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL29705496 0.75 NUDT1 (0.53) NOS1PIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL2112472 0.75 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBNUDT1XDH
SCHEMBL29487195 0.75 XDH (0.53) PIK3CDPIK3CAPIK3CBNUDT1XDH
SCHEMBL3375875 0.75 PRKCI (0.52) NOS1PIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL11506 0.75 NUDT1 (0.53) NOS1PIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL9933985 0.75 NUDT1 (0.49) PIK3CDPIK3CAPIK3CBNUDT1XDH
SCHEMBL2619223 0.75 CHEK1 (0.47) PIK3CDPIK3CAPIK3CBNUDT1XDH
SCHEMBL21855766 0.75 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBNUDT1XDH
SCHEMBL1835481 0.75 XDH (0.53) PIK3CDPIK3CAPIK3CBNUDT1XDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-12441743-B2 Spiro aromatic ring compound and use thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2025-10-14 US disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
CN-111566104-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-05-17 CN disclosed
US-20240116949-A1 SPIRO AROMATIC RING COMPOUND AND USE THEREOF ETERN BIOPHARMA SHANGHAI CO LTD (CN) 2024-04-11 US disclosed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NOS1 2104/4885PIK3CD 427/4885PIK3CA 252/4885
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET NOS1 2209/4885PIK3CD 2746/4885PIK3CA 1176/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C NOS1 2327/4885PIK3CD 388/4885PIK3CA 228/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 NOS1 2098/4885PIK3CD 2356/4885PIK3CA 3259/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 NOS1 1987/4885PIK3CD 3383/4885PIK3CA 4034/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB NOS1 297/4885PIK3CD 296/4885PIK3CA 458/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NOS1 3143/4885PIK3CD 19/4885PIK3CA 13/4885
US-20240116949-A1 SPIRO AROMATIC RING COMPOUND AND USE THEREOF PTPN1, PTPN11, PTPN5 NOS1 2709/4885PIK3CD 758/4885PIK3CA 341/4885
US-12441743-B2 Spiro aromatic ring compound and use thereof PTPN1, PTPN11, PTPN5 NOS1 2709/4885PIK3CD 758/4885PIK3CA 341/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOS1 3670/4885PIK3CD 855/4885PIK3CA 884/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOS1 3670/4885PIK3CD 855/4885PIK3CA 884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.