SCHEMBL992961

SCHEMBL992961

CC(C)(C)OC(=O)N(CC=O)NC1CCC(Nc2cc(I)cc(Cl)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CCNT1 O60563 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL1045104 0.83 USP30 (0.35)
SCHEMBL1050720 0.78 CDC7 (0.42)
SCHEMBL992960 0.76 ADORA3 (0.39) ACACBACACAPRCP
SCHEMBL992958 0.76 ADORA3 (0.39) ACACBACACAPRCP
SCHEMBL992669 0.75 ALDH1A1 (0.53) CNR2CCNT1
SCHEMBL992519 0.74 ALDH1A1 (0.49) CCNT1
SCHEMBL993359 0.72 BTK (0.48)
SCHEMBL1050691 0.72 PDPK1 (0.36)
SCHEMBL992292 0.72 ALDH1A1 (0.44) CCNT1
SCHEMBL1048369 0.72 PRCP (0.31) PRCP

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-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CNR2 4476/4885ACACB 2023/4885ACACA 1972/4885

“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.