SCHEMBL5740066

SCHEMBL5740066

Cc1n[nH]c2c1nc(-c1ccccn1)c1ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NTRK1 P04629 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
CBFB Q13951 1/20 0.39
TDO2 P48775 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PIM1 P11309 1/20 0.38
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
TGFBR1 P36897 2/20 0.36
WNT1 P04628 1/20 0.36
NPY5R Q15761 1/20 0.35
HPGDS O60760 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL5249664 0.86 LRRK2 (0.48) KDM4ENPC1METAP2METAP1CBFB
SCHEMBL5738765 0.86 KDM4E (0.40) KDM4ENPC1METAP2METAP1CBFB
SCHEMBL5739471 0.84 KDM4E (0.38) KDM4ENPC1METAP2METAP1CBFB
SCHEMBL5739378 0.83 MAP2K4 (0.50) KDM4EGAASMN1; SMN2MAP2K4
SCHEMBL5740060 0.81 KDM4E (0.43) KDM4ENPC1METAP2METAP1CBFB
SCHEMBL5246387 0.81 SMN1; SMN2 (0.40) KDM4ENPC1CBFBLRRK2PIM1
SCHEMBL5738474 0.79 NPC1 (0.43) KDM4ENPC1METAP1GAAMAPT
SCHEMBL4710475 0.79 KDM4E (0.38) KDM4ENPC1METAP2METAP1CBFB
SCHEMBL5739756 0.79 LRRK2 (0.41) KDM4ENPC1NTRK1CBFBLRRK2
SCHEMBL5738772 0.79 LRRK2 (0.41) KDM4ENPC1NTRK1CBFBLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP claimed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO claimed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US claimed
US-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 WO disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US 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-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 KDM4E 3336/4885NPC1 711/4885NTRK1 1044/4885

“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.