SCHEMBL20249179

SCHEMBL20249179

CC(C)(C)c1ccc(CNC(N)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 4/20 0.42
NR1H4 Q96RI1 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CCR9 P51686 2/20 0.39
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL20249197 0.86 KMT2A (0.47) CA1CA2CA7CA14L3MBTL1
SCHEMBL31236179 0.84 TRPV1 (0.51) RECQLCYP2C9CYP2C19NAMPTTRPV1
SCHEMBL20249221 0.82 SMN1; SMN2 (0.43) CYP2C9L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL12040428 0.80 CA2 (0.46) CA2CCR9
SCHEMBL20249178 0.79 ALDH1A1 (0.47) CA1CA2L3MBTL1SMN1; SMN2LMNA
SCHEMBL20037838 0.79 RECQL (0.58) RECQLCYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL3216761 0.77 KMT2A (0.62) CYP2C19CA1CA2L3MBTL1HTT
SCHEMBL19078878 0.77 GABRP (0.56) RECQLCYP2C9CYP2C19SMN1; SMN2NAMPT
SCHEMBL15498266 0.76 CA2 (0.38) CA1CA2L3MBTL1SMN1; SMN2LMNA
SCHEMBL20255200 0.76 NNMT (0.54) RECQLCYP2C9CYP2C19NAMPTALDH1A1

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 RECQL 1044/4885CYP2C9 743/4885CYP2C19 518/4885

“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.