SCHEMBL20203410

SCHEMBL20203410

CS(=O)(=O)c1ncc2cc(C(F)F)nc(C3=CCCCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
FFAR2 O15552 13/20 0.33
KDM5B Q9UGL1 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL20203622 0.80 TDP1 (0.35) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL20203534 0.72 FFAR2 (0.36) NPC1RAB9ATDP1FFAR2PTGS2
SCHEMBL20203416 0.72 KDM4E (0.39) KDM4EALDH1A1LMNAKMT2A
SCHEMBL30460828 0.72 KMT2A (0.38) RAB9AKDM4EALDH1A1LMNAKMT2A
SCHEMBL18291428 0.72 KMT2A (0.38) RAB9AKDM4EALDH1A1LMNAKMT2A
SCHEMBL29575451 0.71 GLP1R (0.36) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL20203404 0.71 GLP1R (0.36) NPC1RAB9ATDP1KDM4EALDH1A1
SCHEMBL23733415 0.69 MAPT (0.36) NPC1RAB9ATDP1ALDH1A1KMT2A
SCHEMBL30460909 0.68 KMT2A (0.37) RAB9AKDM4EALDH1A1LMNAKMT2A
SCHEMBL25275585 0.68 KMT2A (0.37) RAB9AKDM4EALDH1A1LMNAKMT2A

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 NPC1 3303/4885RAB9A 2243/4885TDP1 814/4885

“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.