SCHEMBL983552

SCHEMBL983552

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(OC)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
KMT2A Q03164 2/20 0.37
HTR4 Q13639 2/20 0.37
TBK1 Q9UHD2 2/20 0.36
PAK1 Q13153 1/20 0.36
HPGDS O60760 1/20 0.36
MCHR1 Q99705 4/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MDM4 O15151 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
SCHEMBL981821 0.95 TBK1 (0.41) KMT2AHTR4TBK1PAK1HPGDS
SCHEMBL983581 0.94 BTK (0.40) BTKKMT2AHTR4TBK1PAK1
SCHEMBL985561 0.92 BTK (0.42) BTKKMT2APAK1MDM4
SCHEMBL984887 0.92 HPGDS (0.44) KMT2AHTR4PAK1HPGDSMCHR1
SCHEMBL981954 0.91 BTK (0.40) BTKKMT2A
SCHEMBL982941 0.91 BTK (0.39) BTKKMT2ATBK1PAK1MCHR1
SCHEMBL981830 0.91 MTNR1B (0.40) KMT2AHTR4PAK1HPGDSMCHR1
SCHEMBL984581 0.90 ALDH1A1 (0.44) KMT2ATSHR
SCHEMBL981814 0.90 KDM4E (0.40) BTKKMT2AHTR4PDE4APDE4B
SCHEMBL984721 0.90 KDM4E (0.40) BTKKMT2AHTR4PDE4APDE4B

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 1977/4885KMT2A 2975/4885HTR4 1818/4885

“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.