SCHEMBL2052212

SCHEMBL2052212

C=CCOP(=O)(Cc1cccc(N)c1)OCC=C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 1/20 0.32
ABHD6 Q9BV23 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
SCHEMBL2052517 0.81 FDPS (0.36) CCNT1CDK9MAOBMAOACA1
SCHEMBL9650634 0.80 HPGD (0.41) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL478915 0.80 CCNT1 (0.56) CCNT1CDK9MAOBMAOACYP19A1
SCHEMBL11327658 0.74 NPY5R (0.45) CCNT1CDK9MAPTMAPK1
SCHEMBL8957013 0.73 ACP3 (0.50) MAOBMAPTMAPK1HDAC1
SCHEMBL2030119 0.73 MAOB (0.48) MAOBMAOACYP19A1CA1CA2
SCHEMBL823910 0.72 MAOB (0.44) MAOBMAOACYP19A1CA1CA2
SCHEMBL2034729 0.72 MAOB (0.41) CCNT1CDK9MAOBMAOACYP19A1
SCHEMBL11312153 0.72 MEN1 (0.38) CA2CYP3A4ALDH1A1MAPTTSHR
SCHEMBL1077408 0.72 HPGD (0.37) CYP3A4ALDH1A1TSHR

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-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CCNT1 132/4885CDK9 66/4885MAOB 2330/4885

“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.