SCHEMBL981263

SCHEMBL981263

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)CO)CC4)c[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TBK1 Q9UHD2 7/20 0.36
BTK Q06187 2/20 0.35
MAP3K6 O95382 3/20 0.34
MAP3K5 Q99683 3/20 0.34
PAK1 Q13153 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL985561 0.94 BTK (0.42) MDM4KDM2BKDM4CBTKMAP3K6
SCHEMBL981807 0.92 MDM4 (0.38) MDM4KDM2BKDM4CBTKMAP3K6
SCHEMBL981821 0.91 TBK1 (0.41) MDM4TBK1PAK1CCNT1CDK9
SCHEMBL986177 0.91 CCNT1 (0.40) TBK1PAK1CCNT1CDK9MEN1
SCHEMBL984309 0.91 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL983643 0.90 MDM4 (0.36) MDM4KDM2BKDM4CTBK1MAP3K6
SCHEMBL984583 0.89 LMNA (0.38) MDM4KDM2BKDM4CBTK
SCHEMBL985264 0.89 MAPT (0.43) BTKMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL984520 0.89 MDM4 (0.37) MDM4KDM2BKDM4CBTKMAP3K6
SCHEMBL981511 0.87 KDM1A (0.42) MDM4KDM2BKDM4C

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 MDM4 2898/4885KDM2B 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.