SCHEMBL982008

SCHEMBL982008

CC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2 Q05397 1/20 0.35

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
SCHEMBL984599 0.91 BTK (0.39) BTKMRGPRX1
SCHEMBL986391 0.91 CDK9 (0.41) BTKCYP4F2CYP4A11ADORA2AADORA1
SCHEMBL985350 0.91 CDK9 (0.41) BTKCYP4F2CYP4A11ADORA2AADORA1
SCHEMBL983586 0.90 BTK (0.35) BTKMRGPRX1TAS1R3TAS1R1TAS1R2
SCHEMBL983264 0.90 BTK (0.40) BTKMRGPRX1TAS1R3TAS1R1TAS1R2
SCHEMBL983559 0.90 PTK2 (0.39) MRGPRX1KMT2APTK2
SCHEMBL983145 0.90 BTK (0.44) BTKTAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL987097 0.90 CNR1 (0.38) BTKADORA2AADORA1TAS1R3TAS1R1
SCHEMBL984600 0.90 BTK (0.40) BTKKMT2A
SCHEMBL984446 0.90 BTK (0.40) BTKCYP4F2CYP4A11ADORA2AADORA1

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 BTK 1977/4885CYP4F2 334/4885CYP4A11 416/4885

“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.