SCHEMBL986385

SCHEMBL986385

O=C(O)c1c[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
KMO O15229 2/20 0.40
KDM5A P29375 3/20 0.40
KDM4C Q9H3R0 3/20 0.40
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
KDM4A O75164 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
RBP4 P02753 2/20 0.35
MGLL Q99685 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL985692 0.93 KDM5A (0.44) BRD4KMOKDM5AKDM4CSCN8A
SCHEMBL983691 0.88 KDM4C (0.46) BRD4KMOKDM5AKDM4CKDM4A
SCHEMBL984731 0.88 JAK3 (0.45) BRD4
SCHEMBL983478 0.88 KMO (0.39) KMOKDM5AKDM4CKDM4ARBP4
SCHEMBL981880 0.87 KMO (0.39) BRD4KMOKDM5AKDM4CKDM4A
SCHEMBL984358 0.87 PDE4A (0.40) BRD4KMOKDM5AKDM4CKDM4A
SCHEMBL985069 0.85 KDM4C (0.38) KMOKDM5AKDM4CKDM4A
Hydrochloric Acid SCHEMBL985798 0.84 ACKR3 (0.38) BRD4SCN8ASCN10ACCNT1CDK9
SCHEMBL985596 0.84 SMYD3 (0.41) BRD4SCN8ASCN10A
SCHEMBL984446 0.84 BTK (0.40) BRD4SCN8ASCN10AHTR2ACCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
CN-101959890-A Pyrrolopyrimidine carboxamides NYCOMED GMBH 2011-01-26 CN 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 BRD4 1299/4885KMO 1104/4885KDM5A 263/4885

“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.