SCHEMBL5739682

SCHEMBL5739682

Cc1ccc(-c2nc3c(C)n[nH]c3c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.44
ADORA2A P29274 1/20 0.44
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4712870 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5739946 0.88 CRHR1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4716460 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4713600 0.87 MKNK1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4714272 0.85 TNKS (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5738326 0.84 NPC1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5246955 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5247807 0.82 JAK3 (0.43) KDM4EADORA2APOLBHTTMAPT
SCHEMBL5738676 0.82 IDO1 (0.52) ALDH1A1KDM4EPOLBRAB9AHTT
SCHEMBL5739969 0.81 MEN1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1

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 ALDH1A1 3249/4885SMN1; SMN2 1475/4885MEN1 1575/4885

“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.