SCHEMBL20203535

SCHEMBL20203535

Cc1ccccc1-c1nc(COC(=O)c2ccccc2)cc2cnc(S(C)(=O)=O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SDHB P21912 1/20 0.34
POLB P06746 3/20 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
SCHEMBL23733416 0.86 POLB (0.43) MAPTNPC1MAPK1TP53ALDH1A1
SCHEMBL20203618 0.85 TDP1 (0.39) MAPTNPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL20203412 0.82 LMNA (0.43) MAPTNPC1MAPK1ALDH1A1HTT
SCHEMBL23733436 0.82 MAPT (0.36) MAPTNPC1MAPK1TP53ALDH1A1
SCHEMBL23733440 0.82 MAPK1 (0.39) MAPTNPC1MAPK1TP53ALDH1A1
SCHEMBL23733420 0.81 JAK2 (0.41) MAPTNPC1MAPK1TP53ALDH1A1
SCHEMBL20203534 0.80 FFAR2 (0.36) MAPTNPC1MAPK1SMN1; SMN2RAB9A
SCHEMBL20203486 0.77 TP53 (0.40) MAPTMAPK1TP53ALDH1A1HTT
SCHEMBL23733423 0.72 TP53 (0.45) MAPTNPC1MAPK1TP53ALDH1A1
SCHEMBL20203627 0.71 RXFP1 (0.43) MAPTNPC1MAPK1TP53ALDH1A1

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 MAPT 2593/4885NPC1 3303/4885MAPK1 323/4885

“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.