SCHEMBL20203622

SCHEMBL20203622

CSc1ncc2cc(C(F)F)nc(C3=CCCCC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HASPIN Q8TF76 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PTPN11 Q06124 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PSMB5 P28074 2/20 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
SCHEMBL20203410 0.80 NPC1 (0.35) TDP1CASP3SENP8SENP7SENP6
SCHEMBL21414352 0.77 KMT2A (0.36) TDP1NPC1RAB9A
SCHEMBL26341595 0.74 HASPIN (0.31) HASPIN
SCHEMBL30768115 0.72 HASPIN (0.39) HASPIN
SCHEMBL26341306 0.72 HASPIN (0.39) HASPIN
SCHEMBL20203477 0.71 KDR (0.36) NPC1HASPINJAK3
SCHEMBL29576087 0.70 MEN1 (0.40) HASPIN
SCHEMBL20203405 0.70 MEN1 (0.40) HASPIN
SCHEMBL20203621 0.69 TDP1 (0.37) TDP1NPC1RAB9AJAK2JAK3
SCHEMBL26181506 0.67 HASPIN (0.35) HASPIN

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 TDP1 814/4885CASP3 1954/4885SENP8 2817/4885

“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.