SCHEMBL4363033

SCHEMBL4363033

CNc1cc(Oc2ccc(O)c(N)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GCK P35557 4/20 0.44
KDR P35968 2/20 0.42
NR4A1 P22736 1/20 0.38
RIPK2 O43353 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KCNH2 Q12809 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
SCHEMBL4363640 0.81 GCK (0.51) MEN1KMT2AGCKKDRRIPK2
SCHEMBL20040795 0.81 GCK (0.42) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL2028649 0.79 GCK (0.43) GCKKDRNR4A1RIPK2KCNH2
SCHEMBL4371903 0.78 KDR (0.59) MEN1KMT2AKDRRIPK2ABL1
SCHEMBL4369170 0.77 GCK (0.42) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL335539 0.77 ALDH1A1 (0.65) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL29462465 0.77 ALDH1A1 (0.65) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL29935746 0.77 ALDH1A1 (0.65) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL4363518 0.76 KDR (0.45) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL720128 0.75 ALDH1A1 (0.63) ALDH1A1GAAMEN1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALDH1A1 255/4885GAA 172/4885MEN1 808/4885

“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.