SCHEMBL20203595

SCHEMBL20203595

CC(C)c1ccc2c(n1)CCN(C(=O)Cc1ccccn1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
PDE10A Q9Y233 4/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.39
NAMPT P43490 1/20 0.39
HCRTR2 O43614 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL20203639 0.81 FNTA (0.45) KDRFNTAFNTBKMT2ANAMPT
SCHEMBL23733466 0.80 FNTA (0.44) KDM4EFNTAFNTBALDH1A1MEN1
SCHEMBL18806180 0.78 CDK1 (0.44) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL23733491 0.78 CYP2C19 (0.38) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10577926 0.78 KDM4E (0.67) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL20203593 0.77 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL23733468 0.77 NPC1 (0.42) KDRKDM4EALDH1A1
SCHEMBL20203582 0.77 KDR (0.40) KDRKDM4EALDH1A1MEN1
SCHEMBL20203603 0.76 CDK1 (0.46) KDRKDM4EALDH1A1NAMPT
SCHEMBL22876985 0.76 HDAC3 (0.40) ALDH1A1MEN1KMT2AHPGDHSD17B10

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 KDR 1105/4885KDM4E 451/4885HTT 3809/4885

“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.