SCHEMBL20203591

SCHEMBL20203591

CC(C)c1ccc2c(n1)CCN(C(=O)Cn1cnnc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 0.36
GABRB3 P28472 8/20 0.36
GABRA5 P31644 8/20 0.36
KCNH2 Q12809 7/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2B6 P20813 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CDK1 P06493 2/20 0.35
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
CDK7 P50613 2/20 0.35
CDK9 P50750 2/20 0.35
CDK6 Q00534 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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
SCHEMBL20203637 0.87 ENPP2 (0.43) MEN1KMT2AHSP90AA1ALDH1A1TSHR
SCHEMBL20203582 0.85 KDR (0.40) MEN1HSP90AA1ALDH1A1TSHRCDK1
SCHEMBL23733468 0.85 NPC1 (0.42) HSP90AA1ALDH1A1CDK1CDK4CDK2
SCHEMBL20203642 0.84 CDK4 (0.47) HSP90AA1ALDH1A1TSHRCDK1CDK4
SCHEMBL20203603 0.84 CDK1 (0.46) CYP2C19HSP90AA1ALDH1A1CDK1CDK4
SCHEMBL23733491 0.84 CYP2C19 (0.38) GABRG2GABRB3GABRA5KCNH2CYP2C19
SCHEMBL20203594 0.82 TLR9 (0.39) GABRG2GABRB3GABRA5KCNH2CYP2C19
SCHEMBL20203592 0.82 ALDH1A1 (0.45) CYP2C19MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL18806180 0.82 CDK1 (0.44) GABRG2GABRB3GABRA5KCNH2MEN1
SCHEMBL20203586 0.82 ALDH1A1 (0.37) GABRG2GABRB3GABRA5MEN1KMT2A

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US 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 GABRG2 4149/4885GABRB3 4474/4885GABRA5 4019/4885

“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.