SCHEMBL984600

SCHEMBL984600

CC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
MDM4 O15151 1/20 0.37
PAK1 Q13153 2/20 0.37
CD38 P28907 1/20 0.37
HTR7 P34969 2/20 0.37
KMT2A Q03164 2/20 0.35
JAK2 O60674 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM5A P29375 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL986013 0.91 MEN1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL986300 0.91 CDK9 (0.39) MDM4CD38HTR7KMT2AIRAK4
SCHEMBL984790 0.91 PAK1 (0.38) BTKMDM4PAK1HTR7KMT2A
SCHEMBL985290 0.91 KDM5A (0.37) BTKMDM4PAK1HTR7KMT2A
SCHEMBL982969 0.91 BRD4 (0.39) CD38HTR7KMT2AIRAK4MEN1
SCHEMBL982008 0.90 BTK (0.40) BTKKMT2A
SCHEMBL983123 0.90 PARP1 (0.45) BTKKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL981807 0.90 MDM4 (0.38) BTKMDM4PAK1CD38KMT2A
SCHEMBL981754 0.89 MCHR1 (0.37) BTKPAK1CD38JAK2IRAK4
SCHEMBL984887 0.88 HPGDS (0.44) MDM4PAK1CD38KMT2AIRAK4

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 1977/4885MDM4 2898/4885PAK1 1999/4885

“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.