SCHEMBL20203392

SCHEMBL20203392

CC(C)c1ccc(CN2CCN(C)C[C@@H]2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 2/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PANK3 Q9H999 2/20 0.35
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL20203455 1.00 NR1H2 (0.44) NR1H2NR1H3ALDH1A1HRH3PRMT5
SCHEMBL20203572 0.81 ALDH1A1 (0.45) ALDH1A1HRH3SIGMAR1
SCHEMBL20203571 0.81 ALDH1A1 (0.45) ALDH1A1HRH3SIGMAR1
SCHEMBL21414417 0.80 HRH3 (0.51) ALDH1A1HRH3PRMT5WDR77SIGMAR1
SCHEMBL21414425 0.78 HRH3 (0.52) ALDH1A1HRH3SIGMAR1
SCHEMBL17660303 0.77 LMNA (0.50) ALDH1A1HRH3PRMT5WDR77MEN1
SCHEMBL22876975 0.76 IDH1 (0.40) NR1H2NR1H3ALDH1A1HRH3PRMT5
SCHEMBL20203461 0.76 IDH1 (0.40) NR1H2NR1H3ALDH1A1HRH3PRMT5
SCHEMBL20203554 0.76 IDH1 (0.40) NR1H2NR1H3ALDH1A1HRH3PRMT5
SCHEMBL12676560 0.74 KDM4E (0.56) ALDH1A1HRH3KMT2A

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 NR1H2 3898/4885NR1H3 3624/4885ALDH1A1 964/4885

“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.