SCHEMBL20037653

SCHEMBL20037653

CSc1ncc2cc([C@@H](C)OC(=O)c3ccccc3)nc(NC(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 1/20 0.35
LMNA P02545 5/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL20207274 1.00 PKM (0.39) PKMTP53SMN1; SMN2TSHRHSD17B10
SCHEMBL31164061 0.86 PKM (0.38) PKMSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL26180811 0.86 PKM (0.38) PKMSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL20037497 0.85 PKM (0.37) PKMSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL26180900 0.85 PKM (0.40) PKMSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL26180903 0.85 PKM (0.40) PKMSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL20207266 0.85 SMN1; SMN2 (0.37) PKMTP53SMN1; SMN2NTRK1LMNA
SCHEMBL20037602 0.85 HASPIN (0.37) TP53SMN1; SMN2TSHRNTRK1LMNA
SCHEMBL20203573 0.85 SMN1; SMN2 (0.37) PKMTP53SMN1; SMN2NTRK1LMNA
SCHEMBL21402723 0.84 PKM (0.37) PKMSMN1; SMN2LMNAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-22 US disclosed
EP-4450501-A1 CDK9 INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2024-10-23 EP disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
EP-3546456-B1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LTD (JP) 2022-01-12 EP disclosed
EP-3546456-B1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LTD (JP) 2022-01-12 EP disclosed
US-20210276997-A1 CRYSTAL OF PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LIMITED (JP) 2021-09-09 US disclosed
US-20210276997-A1 CRYSTAL OF PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF TEIJIN PHARMA LIMITED (JP) 2021-09-09 US disclosed
EP-3546456-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
EP-3546456-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
WO-2018097295-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF 帝人ファーマ株式会社 2018-05-31 WO disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 (3 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 PKM 610/4885TP53 220/4885SMN1; SMN2 1690/4885
US-20210276997-A1 CRYSTAL OF PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF CDK6, CDK4, CDKL4 PKM 790/4885TP53 1236/4885SMN1; SMN2 3386/4885
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF CDK9, CDK19, CDKL1 PKM 372/4885TP53 1042/4885SMN1; SMN2 1142/4885

“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.