SCHEMBL984905

SCHEMBL984905

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
SMYD3 Q9H7B4 5/20 0.39
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
BTK Q06187 9/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PBK Q96KB5 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL984745 0.93 BTK (0.39) KDM1AKDM2BKDM4CBTKTAS1R3
SCHEMBL984583 0.91 LMNA (0.38) KDM1AKDM2BKDM4CBTKTAS1R3
SCHEMBL981511 0.91 KDM1A (0.42) KDM1ASMYD3KDM2BKDM4CTAS1R3
SCHEMBL985165 0.90 BTK (0.43) KDM1ASMYD3BTK
SCHEMBL986107 0.90 BTK (0.43) KDM1ASMYD3BTK
SCHEMBL986033 0.90 CSNK2A2 (0.38) KDM1AKDM2BKDM4CBTKTAS1R3
SCHEMBL986034 0.90 CSNK2A2 (0.38) KDM1AKDM2BKDM4CBTKTAS1R3
SCHEMBL985596 0.90 SMYD3 (0.41) KDM1ASMYD3BTKPBKHPGD
SCHEMBL985060 0.90 HPGD (0.40) KDM2BKDM4CBTKTAS1R3TAS1R1
SCHEMBL985299 0.90 BTK (0.37) KDM1AKDM2BKDM4CBTKTAS1R3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM1A 1204/4885SMYD3 1287/4885KDM2B 831/4885

“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.