SCHEMBL2170776

SCHEMBL2170776

Cc1cc(-c2ccc(Cl)cn2)sc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL5861652 0.79 KDM4E (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL2169920 0.76 MAPT (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL2173283 0.76 KDM4E (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL2171600 0.75 NPC1 (0.40) KDM4EALDH1A1POLBHDAC1ADAMTS5
SCHEMBL12215859 0.73 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL2172456 0.73 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL24970240 0.72 MAPT (0.40) KDRMEN1KMT2AMAPTKDM4E
SCHEMBL28057584 0.68 HPGD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL16399315 0.68 HTR2B (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13706018 0.67 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
CN-102245600-A Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL MYERS SQUIBB CO 2011-11-16 CN disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R PIK3CD 3980/4885ABL1 4733/4885EGFR 1764/4885

“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.