SCHEMBL6531023

SCHEMBL6531023

O=C(O)c1ccn(-c2ccccn2)c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
REN P00797 1/20 0.42
TSHR P16473 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 4/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL16703428 0.89 CTNNB1 (0.43) KMT2AMEN1RENTSHRALDH1A1
SCHEMBL10187777 0.87 ALDH1A1 (0.40) KMT2AMEN1RENTSHRALDH1A1
SCHEMBL6168541 0.73 NOTUM (0.45) TSHRALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL4814573 0.71 TYK2 (0.50) KMT2AMEN1TSHRALDH1A1HSD17B10
SCHEMBL30367555 0.71 TYK2 (0.50) KMT2AMEN1TSHRALDH1A1HSD17B10
SCHEMBL15999061 0.70 ROCK1 (0.48) TSHRKDM4EALKBH2EGLN1
SCHEMBL25778550 0.68 KDM4E (0.66) TSHRALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL25778552 0.68 L3MBTL1 (0.51) TSHRALDH1A1HSD17B10CYP3A4MAPK1
SCHEMBL28773938 0.68 KDM4E (0.43) KMT2ATSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL31525628 0.68 NAPRT (0.39) TSHRKDM4EALKBH2EGLN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614234-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2013-12-24 US disclosed
EP-2473501-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS Allergan, Inc. (US) 2012-07-11 EP disclosed
US-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2011-03-03 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-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ABL1, ERBB2, LCK KMT2A 2169/4885MEN1 3540/4885REN 742/4885

“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.