SCHEMBL982596

SCHEMBL982596

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c[nH]c23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.36
MAP3K6 O95382 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
MDM4 O15151 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
LRRK2 Q5S007 2/20 0.35
MCHR1 Q99705 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
DYRK1A Q13627 2/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 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
SCHEMBL984720 0.96 MDM4 (0.38) MAP3K5MAP3K6CCNT1CDK9MDM4
SCHEMBL984895 0.95 BTK (0.39) MAP3K5MAP3K6MDM4KMT2AKDM4E
SCHEMBL981843 0.94 EPHX2 (0.38) MAP3K5MAP3K6MDM4KMT2AKDM4E
SCHEMBL982325 0.93 MDM4 (0.38) MAP3K5MAP3K6CCNT1CDK9MDM4
SCHEMBL982064 0.93 MAP3K5 (0.37) MAP3K5MAP3K6CCNT1CDK9MDM4
SCHEMBL984230 0.92 BTK (0.39) MAP3K5MAP3K6MDM4KMT2AKDM4E
SCHEMBL984263 0.91 PDE4D (0.33) MAP3K5MAP3K6
SCHEMBL984897 0.91 EPHX2 (0.38) MAP3K5MAP3K6MDM4KMT2AKDM4E
SCHEMBL982137 0.91 MAP3K5 (0.34) MAP3K5MAP3K6CCNT1CDK9
SCHEMBL982545 0.91 MDM4 (0.37) MAP3K5MAP3K6MDM4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MAP3K5 1564/4885MAP3K6 2724/4885CCNT1 807/4885

“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.