SCHEMBL20203524

SCHEMBL20203524

CC(C)c1ccc(CN2CCC3(CC2)COC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PANK3 Q9H999 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 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
SCHEMBL12028961 0.82 HRH3 (0.51) HRH3ALDH1A1HIF1A
SCHEMBL4547913 0.80 HRH3 (0.50) PRMT5WDR77HRH3ALDH1A1TSHR
SCHEMBL12028959 0.80 HRH3 (0.47) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL20804089 0.79 ALDH1A1 (0.49) CHEK1ACHEHRH3MEN1KMT2A
SCHEMBL25896863 0.79 HRH3 (0.53) HRH3MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL20203451 0.77 ALDH1A1 (0.51) PRMT5WDR77MEN1KMT2AATM
SCHEMBL17660303 0.77 LMNA (0.50) PRMT5WDR77HRH3HPGDMEN1
SCHEMBL23103355 0.77 PRMT5 (0.41) PRMT5
SCHEMBL20203429 0.76 CXCR4 (0.47) HRH3MEN1KMT2A
SCHEMBL20804010 0.75 TRPV6 (0.42) PRMT5WDR77IDH1HRH3MEN1

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 CHEK1 286/4885ACHE 4605/4885PRMT5 1943/4885

“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.

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