SCHEMBL20037592

SCHEMBL20037592

CC(C)c1ccc(CN2CCN(CCO)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ PANK3 Q9H999 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL21414330 0.96 ALDH1A1 (0.47) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL21414349 0.88 ALDH1A1 (0.50) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL17660303 0.87 LMNA (0.50) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL22876978 0.86 ALDH1A1 (0.51) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL20203451 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL4547913 0.83 HRH3 (0.50) ALDH1A1PRMT5WDR77TSHRHRH3
SCHEMBL12028959 0.83 HRH3 (0.47) ALDH1A1MEN1KMT2AATMPRMT5
SCHEMBL20203394 0.83 PRMT5 (0.47) ALDH1A1MEN1KMT2AATMPRMT5
SCHEMBL20203391 0.83 PRMT5 (0.47) ALDH1A1MEN1KMT2AATMPRMT5
SCHEMBL20203567 0.82 PRMT5 (0.48) ALDH1A1MEN1KMT2AATMPRMT5

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 5 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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP 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 964/4885PKM 661/4885MEN1 2438/4885

“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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