SCHEMBL643017

SCHEMBL643017

COc1cccc(C(C(=O)N2CCN(c3ccncc3)CC2)n2c(=O)[nH]c3ccc(Cl)cc32)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
CBX7 O95931 1/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDYL Q9Y232 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
PRKG1 Q13976 1/20 0.40
KIT P10721 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL639658 0.91 KMT2A (0.49) ROCK2KMT2AMEN1MAPTALDH1A1
SCHEMBL640665 0.88 LMNA (0.43) ROCK2TSHRCYP3A4LMNAMAPK1
SCHEMBL642674 0.85 RBP4 (0.42) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL641604 0.82 CBX7 (0.43) KMT2AMEN1CBX7CDYL2CDYL
SCHEMBL641839 0.82 MDM2 (0.45) ROCK2KMT2AMEN1TSHRCYP3A4
SCHEMBL640092 0.81 AKR1C3 (0.45) ROCK2KMT2AMEN1MAPTCYP3A4
SCHEMBL639654 0.80 CBX7 (0.55) KMT2AMEN1CBX7CDYL2CDYL
SCHEMBL641245 0.80 ROCK2 (0.47) ROCK2KMT2AMEN1MAPTTSHR
SCHEMBL641801 0.79 F10 (0.42) ROCK2MAPTTSHRALDH1A1GAA
SCHEMBL640572 0.79 ROCK2 (0.45) ROCK2KMT2AMEN1MAPTTSHR

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ROCK2 2856/4885KMT2A 4356/4885MEN1 43/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ROCK2 2856/4885KMT2A 4356/4885MEN1 43/4885

“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.