SCHEMBL20203618

SCHEMBL20203618

CSc1ncc2cc(COC(=O)c3ccccc3)nc(-c3ccccc3C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NTRK1 P04629 1/20 0.36
ALOX5 P09917 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2C9 P11712 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
SCHEMBL23733423 0.88 TP53 (0.45) TDP1ALDH1A1POLBMAPTRXFP1
SCHEMBL20203627 0.86 RXFP1 (0.43) TDP1ALDH1A1POLBMAPTRXFP1
SCHEMBL20037634 0.86 TDP1 (0.43) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL20203535 0.85 MAPT (0.38) TDP1ALDH1A1POLBMAPTRXFP1
SCHEMBL20203626 0.84 TP53 (0.40) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL31164152 0.83 KMT2A (0.42) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL18291265 0.83 KMT2A (0.42) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL20203536 0.83 POLB (0.38) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL20203533 0.82 TP53 (0.36) TDP1ALDH1A1POLBMAPTKMT2A
SCHEMBL20203620 0.81 JAK2 (0.40) TDP1ALDH1A1POLBMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 WO 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 TDP1 814/4885ALDH1A1 964/4885POLB 851/4885

“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.