SCHEMBL2391186

SCHEMBL2391186

O=c1[nH]cnc2ccc(-c3ccc(Cl)cc3)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 4/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL1965382 0.76 AURKA (0.33) ALDH1A1PARP1XDH
SCHEMBL16652415 0.74 ACVR1 (0.46) KDM5BMAPK1
SCHEMBL22533108 0.69 XDH (0.36) PARP1HPGDRAB9AXDHNPC1
SCHEMBL4053934 0.61 HSD11B1 (0.53) KDM5BALDH1A1MAPK1PARP1KDM4E
SCHEMBL15731247 0.60 ALDH1A1 (0.45) ALDH1A1MAPK1PARP1HPGDKDM4E
SCHEMBL5906196 0.59 SMN1; SMN2 (0.42) ALDH1A1HPGDMEN1LMNAGAA
SCHEMBL11126289 0.58 ALDH1A1 (0.69) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL4500559 0.58 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMEN1LMNA
SCHEMBL9768675 0.58 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMEN1LMNA
SCHEMBL18632542 0.58 SCN5A (0.61) ALDH1A1NOTUMRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 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 (2 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R EGLN2 365/4885KDM5B 1339/4885ALDH1A1 688/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R EGLN2 365/4885KDM5B 1339/4885ALDH1A1 688/4885

“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.