SCHEMBL3259744

SCHEMBL3259744

Nc1cnn(CC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLKB1 P03952 1/20 0.40
KDM1A O60341 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.36
ENPP2 Q13822 2/20 0.35
KDM5B Q9UGL1 1/20 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
Hydrochloric Acid SCHEMBL17003092 0.98 MAPT (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Cyanide SCHEMBL27964377 0.94 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23212539 0.92 KLKB1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23623150 0.92 KLKB1 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL4192158 0.91 KLKB1 (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16593759 0.88 LRRK2 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL27418433 0.87 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23230273 0.87 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1703769 0.86 HDAC1 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18283552 0.85 MAPT (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-10-02 US disclosed
CN-119241539-A Pyrazolo piperidine (ketone) -containing derivative, and preparation method and application thereof 沈阳药科大学 2025-01-03 CN disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
CN-115650958-B 2-Aminopyrimidine compound, preparation method, application and pharmaceutical composition thereof 中国药科大学 2024-05-17 CN disclosed
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
CN-115650958-A 2-aminopyrimidine compound and preparation method, application and pharmaceutical composition thereof 中国药科大学 2023-01-31 CN disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
EP-3312164-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2020-12-09 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 US disclosed
CN-103889974-A Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (pde10a) in mammals TAKEDA PHARMACEUTICAL 2014-06-25 CN disclosed
US-20130150344-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
EP-2602254-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (7 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-20250304567-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB PIK3CD 253/4885PIK3CA 582/4885PIK3CB 269/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 PIK3CD 1920/4885PIK3CA 1362/4885PIK3CB 2407/4885
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS PDE5A, PDE3B, PDE3A PIK3CD 1217/4885PIK3CA 1151/4885PIK3CB 1170/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK PIK3CD 1717/4885PIK3CA 1019/4885PIK3CB 2080/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 PIK3CD 1012/4885PIK3CA 751/4885PIK3CB 865/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIK3CD 836/4885PIK3CA 846/4885PIK3CB 912/4885
US-20130150344-A1 HETEROCYCLIC COMPOUND PDE5A, PDE3A, PDE3B PIK3CD 1579/4885PIK3CA 2115/4885PIK3CB 2116/4885

“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.