SCHEMBL20249202

SCHEMBL20249202

CC(C)(C)c1ccc(CCCNS(C)(=O)=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.47
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL20249180 0.82 KMT2A (0.45) POLBALDH1A1RECQLMEN1KMT2A
SCHEMBL18291416 0.79 POLB (0.55) POLBALDH1A1RECQLTP53
SCHEMBL20037806 0.79 POLB (0.55) POLBALDH1A1RECQLMEN1KMT2A
SCHEMBL20249206 0.77 MTNR1A (0.46) POLB
SCHEMBL18590349 0.75 ALDH1A1 (0.57) POLBALDH1A1RECQLMEN1KMT2A
SCHEMBL10262595 0.75 NFKB1 (0.51) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL20249492 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL25101288 0.73 RAB9A (0.49) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL20249204 0.73 CA2 (0.43) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL16643809 0.72 GAA (0.36) ALDH1A1MEN1KMT2AHTTLMNA

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
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 POLB 1145/4885ALDH1A1 944/4885RECQL 1044/4885

“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.