SCHEMBL985299

SCHEMBL985299

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.37
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ACACB O00763 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RIPK2 O43353 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL984745 0.90 BTK (0.39) BTKKDM2BKDM4CTAS1R3TAS1R1
SCHEMBL984905 0.90 KDM1A (0.42) BTKKDM2BKDM4CTAS1R3TAS1R1
SCHEMBL982594 0.90 BTK (0.42) BTKTAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL983643 0.89 MDM4 (0.36) KDM2BKDM4CKMT2AMDM4
SCHEMBL984583 0.89 LMNA (0.38) BTKKDM2BKDM4CTAS1R3TAS1R1
SCHEMBL981511 0.89 KDM1A (0.42) KDM2BKDM4CTAS1R3TAS1R1TAS1R2
SCHEMBL986034 0.88 CSNK2A2 (0.38) BTKKDM2BKDM4CTAS1R3TAS1R1
SCHEMBL986033 0.88 CSNK2A2 (0.38) BTKKDM2BKDM4CTAS1R3TAS1R1
SCHEMBL982180 0.88 BTK (0.37) BTKKDM4CKMT2AACACBIRAK4
SCHEMBL985060 0.88 HPGD (0.40) BTKKDM2BKDM4CTAS1R3TAS1R1

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.