SCHEMBL20203637

SCHEMBL20203637

CC(C)c1ccc2c(n1)CCN(C(=O)Cn1ccnc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NR1I3 Q14994 1/20 0.36
HMOX2 P30519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 1/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL20203591 0.87 GABRG2 (0.36) KMT2ATSHRALDH1A1KDM4ENPC1
SCHEMBL23733491 0.82 CYP2C19 (0.38) KMT2ATSHRALDH1A1KDM4ENPC1
SCHEMBL23733468 0.81 NPC1 (0.42) MAPTALDH1A1KDM4ENPC1HSP90AA1
SCHEMBL20203593 0.81 ALDH1A1 (0.39) KMT2ATSHRALDH1A1KDM4ENPC1
SCHEMBL20203594 0.81 TLR9 (0.39) KMT2ATSHRALDH1A1KDM4ENPC1
SCHEMBL20203592 0.81 ALDH1A1 (0.45) KMT2AMAPTTSHRALDH1A1CYP19A1
SCHEMBL20203603 0.80 CDK1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2NAMPT
SCHEMBL20203639 0.79 FNTA (0.45) KMT2ANPC1RAB9ANAMPT
SCHEMBL20203642 0.78 CDK4 (0.47) MAPTALOX15TSHRALDH1A1KDM4E
SCHEMBL20203586 0.78 ALDH1A1 (0.37) ENPP2KMT2AMAPTALOX15TSHR

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 ENPP2 4368/4885KMT2A 657/4885MAPT 2593/4885

“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.