SCHEMBL20203570

SCHEMBL20203570

C[C@@H]1CN(Cc2ccc(N)nc2)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SSTR5 P35346 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL20203575 1.00 CDK1 (0.39) CDK1CDK4CCNA2CCND3CDK6
SCHEMBL22877040 0.84 CHRNB1 (0.43) CDK1CDK4CCNA2CCND3CDK6
SCHEMBL18202680 0.84 DRD2 (0.41) DRD2DRD3DRD4LMNAALDH1A1
SCHEMBL28055260 0.84 DRD2 (0.40) DRD2DRD3DRD4ALDH1A1MEN1
SCHEMBL28055262 0.84 DRD2 (0.40) DRD2DRD3DRD4ALDH1A1MEN1
SCHEMBL20037668 0.83 LMNA (0.40) DRD2DRD3DRD4LMNAALDH1A1
SCHEMBL27844251 0.83 ATM (0.37) DRD2DRD3DRD4LMNAMEN1
SCHEMBL22876990 0.82 HRH3 (0.48) CDK1CDK4CCNA2CCND3CDK6
SCHEMBL22876975 0.81 IDH1 (0.40) CDK1CDK4CCNA2CCND3CDK6
SCHEMBL20203461 0.81 IDH1 (0.40) CDK1CDK4CCNA2CCND3CDK6

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 4 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
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 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 CDK1 8/4885CDK4 1/4885CCNA2 54/4885

“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.