SCHEMBL983530

SCHEMBL983530

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
NPY5R Q15761 2/20 0.38
RBP4 P02753 1/20 0.38
ACKR3 P25106 1/20 0.36
MDM4 O15151 1/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.35
PHF8 Q9UPP1 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
SSTR5 P35346 1/20 0.34
MGLL Q99685 3/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 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
SCHEMBL981954 0.95 BTK (0.40) BTKNPY5RRBP4KMT2AHSD17B10
SCHEMBL984240 0.93 EPHX2 (0.40) NPY5RRBP4MDM4KMT2AHSD17B10
SCHEMBL983581 0.92 BTK (0.40) BTKMDM4KMT2AMEN1
SCHEMBL986300 0.91 CDK9 (0.39) NPY5RRBP4ACKR3MDM4KMT2A
SCHEMBL984230 0.90 BTK (0.39) BTKMDM4KMT2AMEN1
SCHEMBL984895 0.90 BTK (0.39) BTKMDM4KMT2AMEN1
SCHEMBL985542 0.89 BTK (0.40) BTKKMT2AKDM5AKDM4CPHF8
SCHEMBL985733 0.89 BTK (0.40) BTKKMT2AKDM5AKDM4CPHF8
SCHEMBL985561 0.88 BTK (0.42) BTKMDM4KMT2AKDM4CMEN1
SCHEMBL986177 0.88 CCNT1 (0.40) RBP4KMT2AHSD17B10MEN1CCNT1

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 1977/4885NPY5R 289/4885RBP4 3696/4885

“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.