SCHEMBL4917158

SCHEMBL4917158

Nc1c2c(nc3c(-c4ncccc4F)cccc13)CN(C1CCC1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ PIK3CA P42336 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PDE4A P27815 7/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ CDK4 P11802 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ IL4I1 Q96RQ9 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK10 P53779 1/20 0.31

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
SCHEMBL2669539 0.90 MAPK1 (0.36) MAPK1ALDH1A1ACVR1BMPR1AACVRL1
SCHEMBL2669424 0.89 MAPK1 (0.36) MAPK1PIK3CAALDH1A1PDE4AACVR1
SCHEMBL2660877 0.87 MAPK1 (0.43) MAPK1ALDH1A1CDK4POLBPARP1
SCHEMBL2656099 0.86 PARP1 (0.35) MAPK1PIK3CAALDH1A1ACVR1BMPR1A
SCHEMBL2662522 0.84 MAPK1 (0.48) MAPK1ALDH1A1POLBPARP1HTT
SCHEMBL2669394 0.83 GRM5 (0.36) MAPK1PIK3CAALDH1A1ACVR1BMPR1A
SCHEMBL2669595 0.83 MAPK1 (0.47) MAPK1ALDH1A1PDE4APOLBPARP1
SCHEMBL2661944 0.83 MAPK1 (0.47) MAPK1PDE4ACDK4POLBPARP1
SCHEMBL2661936 0.83 MAPK1 (0.35) MAPK1PIK3CAALDH1A1PDE4AACVR1
SCHEMBL2658060 0.82 PIK3CA (0.45) PIK3CAALDH1A1PDE4AACVR1BMPR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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 (1 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF MAPK1 3191/4885PIK3CA 3396/4885ALDH1A1 442/4885

“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.

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