SCHEMBL20203580

SCHEMBL20203580

CC(C)c1ccc(CN2CCC(O)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.48
▸ CD274 Q9NZQ7 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PDCD1 Q15116 2/20 0.44
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LTA4H P09960 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL20203465 0.86 HRH3 (0.50) KMT2AMEN1HRH3ACHEPRMT5
SCHEMBL20037681 0.85 PRMT5 (0.42) KMT2AMEN1HRH3CD274PDCD1
SCHEMBL21267598 0.84 MGAT2 (0.46) KMT2AMEN1HRH3CD274PDCD1
SCHEMBL20037551 0.84 ALDH1A1 (0.55) ALDH1A1ACHEKDM4ELTA4HPOLB
SCHEMBL20037686 0.84 S1PR5 (0.51) ALDH1A1KMT2AMEN1HRH3LTA4H
SCHEMBL20037688 0.83 PARP1 (0.42) ALDH1A1KMT2ACYP2D6HRH3PRMT5
SCHEMBL4547913 0.83 HRH3 (0.50) ALDH1A1HRH3KDM4EPRMT5WDR77
SCHEMBL12028959 0.83 HRH3 (0.47) ALDH1A1KMT2AMEN1HRH3CD274
SCHEMBL21267595 0.83 KDM4E (0.53) ALDH1A1RAB9AKMT2AHRH3NPC1
SCHEMBL20203525 0.82 ACHE (0.43) KMT2AMEN1HRH3ACHEPRMT5

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 ALDH1A1 964/4885RAB9A 2243/4885KMT2A 657/4885

“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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