SCHEMBL5738765

SCHEMBL5738765

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
CBFB Q13951 3/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
LRRK2 Q5S007 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR39 O43194 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5740066 0.86 KDM4E (0.40) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5739471 0.84 KDM4E (0.38) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5739673 0.83 KDM4E (0.45) KDM4EMEN1KMT2ANPSR1TP53
SCHEMBL5740060 0.81 KDM4E (0.43) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5246387 0.81 SMN1; SMN2 (0.40) KDM4ENPC1CBFBLRRK2MEN1
SCHEMBL4710475 0.79 KDM4E (0.38) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5738474 0.79 NPC1 (0.43) KDM4ENPC1METAP1KMT2ANPSR1
SCHEMBL5740335 0.79 LRRK2 (0.41) KDM4ENPC1CBFBMETAP2METAP1
SCHEMBL5740644 0.79 LRRK2 (0.41) KDM4ENPC1CBFBMETAP2METAP1

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 711/4885CBFB 1765/4885

“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.