SCHEMBL20203639

SCHEMBL20203639

CC(C)c1ccc2c(n1)CCN(C(=O)Cc1ccncc1)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.45
FNTB P49356 8/20 0.45
KDR P35968 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
PANK3 Q9H999 1/20 0.38
NAMPT P43490 1/20 0.37
GNRHR P30968 1/20 0.37

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
SCHEMBL23733466 0.87 FNTA (0.44) FNTAFNTBNPC1KMT2ANAMPT
SCHEMBL23733472 0.85 FNTA (0.47) FNTAFNTBKDRNPC1RAB9A
SCHEMBL20203595 0.81 KDR (0.47) FNTAFNTBKDRKMT2ANAMPT
SCHEMBL18806180 0.81 CDK1 (0.44) NPC1RAB9AKMT2A
SCHEMBL23733491 0.81 CYP2C19 (0.38) NPC1RAB9AKMT2A
SCHEMBL20203593 0.79 ALDH1A1 (0.39) NPC1RAB9AKMT2A
SCHEMBL20203637 0.79 ENPP2 (0.43) NPC1RAB9AKMT2ANAMPT
SCHEMBL23733468 0.79 NPC1 (0.42) KDRNPC1
SCHEMBL20203582 0.79 KDR (0.40) KDRNPC1
SCHEMBL22876985 0.78 HDAC3 (0.40) KMT2A

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 2 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
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 FNTA 4431/4885FNTB 4849/4885KDR 1105/4885

“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.