SCHEMBL985635

SCHEMBL985635

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)C5(O)CC5)CC4)c[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.37
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
MDM4 O15151 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CRHR1 P34998 5/20 0.32
CRHR2 Q13324 4/20 0.32
RIPK2 O43353 1/20 0.32
KDM1A O60341 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL981903 0.91 HTR4 (0.38) BTKCRHR1CRHR2PTK2
SCHEMBL984217 0.91 HTR4 (0.38) BTKCRHR1CRHR2PTK2
SCHEMBL984745 0.90 BTK (0.39) BTKKDM2BKDM4CADORA2AADORA1
SCHEMBL984520 0.90 MDM4 (0.37) BTKKDM2BKDM4CADORA2AADORA1
SCHEMBL983256 0.89 BTK (0.42) BTKADORA2AADORA1MDM4TAS1R3
SCHEMBL984905 0.89 KDM1A (0.42) BTKKDM2BKDM4CADORA2AADORA1
SCHEMBL984583 0.88 LMNA (0.38) BTKKDM2BKDM4CADORA2AADORA1
SCHEMBL981511 0.88 KDM1A (0.42) KDM2BKDM4CADORA2AADORA1MDM4
SCHEMBL986033 0.88 CSNK2A2 (0.38) BTKKDM2BKDM4CADORA2AADORA1
SCHEMBL986034 0.88 CSNK2A2 (0.38) BTKKDM2BKDM4CADORA2AADORA1

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 1977/4885KDM2B 831/4885KDM4C 599/4885

“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.