SCHEMBL4060637

SCHEMBL4060637

O=c1nc(-c2ccsc2-c2ccccc2)cc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRC P08575 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP2K1 Q02750 1/20 0.35
CASP3 P42574 1/20 0.35
CES1 P23141 1/20 0.34
MAPT P10636 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL144673 0.77 CYP1A2 (0.53) KMT2AMAPK1CYP1A2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL28736083 0.76 CYP1A2 (0.52) KMT2AMAPK1CYP1A2L3MBTL1ALDH1A1
SCHEMBL1681771 0.69 PTGS2 (0.65) PTGS2PTPRCBCAT2
SCHEMBL10507755 0.68 IDO1 (0.44) L3MBTL1ALDH1A1KDM4ERAB9ANOTUM
SCHEMBL3577075 0.68 C1R (0.44) CYP1A2CYP3A4ADORA3ADORA2AADORA1
SCHEMBL9289058 0.68 PTGS2 (0.44) PTGS2KMT2AMAPK1TP53ALOX15
SCHEMBL2350648 0.68 IDO1 (0.43) KMT2AMAPK1TP53ALOX15CYP1A2
SCHEMBL12914273 0.68 KDM4E (0.45) PTGS2MAPK1TP53ALOX15CYP1A2
SCHEMBL4245392 0.68 KDM4E (0.55) KMT2AMAPK1CYP1A2L3MBTL1ALDH1A1
SCHEMBL2782853 0.67 PTGS2 (0.68) PTGS2BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697381-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
EP-1697381-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
US-20070149553-A1 Mitotic kinesin inhibitors ARRINGTON KENNETH L 2007-06-28 US disclosed
US-20070149553-A1 Mitotic kinesin inhibitors ARRINGTON KENNETH L 2007-06-28 US disclosed
CN-1898249-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2007-01-17 CN disclosed
EP-1697381-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
EP-1697381-A1 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005061518-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-07 WO disclosed
WO-2005061518-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-07 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-20070149553-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B PTGS2 4389/4885KMT2A 310/4885MAPK1 1573/4885

“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.