Sugi Predict

Sugi Predict / Compounds / SCHEMBL20203593

SCHEMBL20203593

SCHEMBL20203593

CC(C)c1ccc2c(n1)CCN(C(=O)Cn1cccn1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CXCR3 P49682 2/20 0.38
▸ GFER P55789 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL20203594 0.85 TLR9 (0.39) ALDH1A1TSHRPOLBL3MBTL1NPC1
SCHEMBL23733491 0.84 CYP2C19 (0.38) ALDH1A1TSHRPOLBL3MBTL1NPC1
SCHEMBL20203592 0.83 ALDH1A1 (0.45) ALDH1A1TSHRPOLBCYP1A2CYP3A4
SCHEMBL23733468 0.81 NPC1 (0.42) ALDH1A1NPC1KDM4E
SCHEMBL20203582 0.81 KDR (0.40) ALDH1A1TSHRNPC1KDM4EMEN1
SCHEMBL20203637 0.81 ENPP2 (0.43) ALDH1A1TSHRPOLBL3MBTL1NPC1
SCHEMBL20203603 0.80 CDK1 (0.46) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL20203591 0.80 GABRG2 (0.36) ALDH1A1TSHRPOLBL3MBTL1NPC1
SCHEMBL20203605 0.80 KDM4E (0.43) ALDH1A1KDM4EUSP2MEN1TP53
SCHEMBL20203639 0.79 FNTA (0.45) NPC1RAB9AKMT2A

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 964/4885TSHR 3082/4885POLB 851/4885

“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.