SCHEMBL985290

SCHEMBL985290

C[C@H](O)C(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 6/20 0.37
MDM4 O15151 1/20 0.36
HTR7 P34969 3/20 0.35
PAK1 Q13153 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
BTK Q06187 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 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
SCHEMBL982027 0.91 BRD4 (0.37) KDM5AHTR7PAK1KMT2A
SCHEMBL984600 0.91 BTK (0.40) KDM5AMDM4HTR7PAK1BTK
SCHEMBL983643 0.90 MDM4 (0.36) KDM5AMDM4PAK1GUCY1B2GUCY1A2
SCHEMBL983742 0.89 MCHR1 (0.35) KDM5APAK1
SCHEMBL985429 0.89 PAK1 (0.38) KDM5AMDM4PAK1KMT2A
SCHEMBL982592 0.89 PAK1 (0.38) KDM5AMDM4PAK1KMT2A
SCHEMBL982594 0.89 BTK (0.42) BTKKMT2A
SCHEMBL986013 0.88 MEN1 (0.46) KMT2A
SCHEMBL984790 0.88 PAK1 (0.38) MDM4HTR7PAK1BTKKMT2A
SCHEMBL983123 0.87 PARP1 (0.45) BTKNPSR1KMT2A

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 KDM5A 263/4885MDM4 2898/4885HTR7 3218/4885

“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.