SCHEMBL983145

SCHEMBL983145

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PTK2 Q05397 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL985733 0.91 BTK (0.40) BTKALDH1A1NPC1RAB9AHPGD
SCHEMBL985542 0.91 BTK (0.40) BTKALDH1A1NPC1RAB9AHPGD
SCHEMBL983586 0.91 BTK (0.35) BTKALDH1A1NPC1RAB9AHPGD
SCHEMBL984334 0.91 BTK (0.39) BTKALDH1A1NPC1RAB9AHPGD
SCHEMBL982008 0.90 BTK (0.40) BTKTAS1R3TAS1R1TAS1R2PTK2
SCHEMBL985060 0.90 HPGD (0.40) BTKNPC1RAB9AHPGDTAS1R3
SCHEMBL984721 0.89 KDM4E (0.40) BTKALDH1A1HPGDKDM4EPTK2
SCHEMBL984888 0.89 KDM4E (0.42) BTKALDH1A1RAB9AHPGDKDM4E
SCHEMBL981814 0.89 KDM4E (0.40) BTKALDH1A1HPGDKDM4EPTK2
SCHEMBL983455 0.89 KDM4E (0.42) BTKALDH1A1RAB9AHPGDKDM4E

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 1977/4885ALDH1A1 924/4885TSHR 3033/4885

“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.