Sugi Predict

Sugi Predict / Compounds / SCHEMBL1584056

SCHEMBL1584056

SCHEMBL1584056

Cc1ccc(C(F)(F)F)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CXCR4 P61073 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SORT1 Q99523 2/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ BRS3 P32247 2/20 0.34

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
Ammonia Solution, Strong SCHEMBL27852366 0.98 NOS3 (0.43) NOS3NOS1NOS2KDM4ECXCR4
Formamide SCHEMBL22289820 0.88 NOS3 (0.41) NOS3NOS1NOS2KDM4ECXCR4
SCHEMBL27362491 0.84 NOS3 (0.43) NOS3NOS1NOS2KDM4ECXCR4
SCHEMBL12570324 0.80 NOS3 (0.48) NOS3NOS1NOS2KDM4E
SCHEMBL19155972 0.79 LMNA (0.36) KDM4ECXCR4LMNAGAAPDE2A
SCHEMBL21612748 0.79 TRPV4 (0.45) KDM4ECXCR4LMNAGAAPDE2A
SCHEMBL31018185 0.79 TRPV4 (0.45) KDM4ECXCR4LMNAGAAPDE2A
SCHEMBL21139679 0.79 KDM4E (0.42) KDM4ECXCR4LMNAGAAHSP90AA1
SCHEMBL755969 0.79 HSP90AA1 (0.36) KDM4ECXCR4LMNAGAAPDE2A
SCHEMBL19450884 0.79 HSP90AA1 (0.36) KDM4ECXCR4LMNAGAAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP claimed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 — — US claimed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 — — EP claimed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO claimed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 — — US claimed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 — — EP disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 — — WO disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 — — WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 — — WO disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 — — US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 — — US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 — — US disclosed
US-20070281930-A1 bicyclic bisamides for controlling acarina SYNGENTA CROP PROTECTION, INC. (US) 2007-12-06 — — US disclosed
US-20070281930-A1 bicyclic bisamides for controlling acarina SYNGENTA CROP PROTECTION, INC. (US) 2007-12-06 — — US disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 — — WO disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 — — WO disclosed
WO-2007009661-A2 PESTICIDAL MIXTURES CONTAINING BICYCLIC ANTHRANILAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 — — WO disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 — — 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 (6 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-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling SHH, NR4A2, NR4A3 NOS3 733/4885NOS1 1146/4885NOS2 1225/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO NOS3 3269/4885NOS1 3154/4885NOS2 3549/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F NOS3 1432/4885NOS1 730/4885NOS2 1548/4885
US-20070281930-A1 bicyclic bisamides for controlling acarina CBR3, HDAC6, H1-2 NOS3 344/4885NOS1 307/4885NOS2 292/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 NOS3 3019/4885NOS1 3988/4885NOS2 3349/4885
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 NOS3 2633/4885NOS1 1832/4885NOS2 2363/4885

“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.