SCHEMBL26295453

SCHEMBL26295453

C[C@H](O)CNC(=O)c1cc(Cl)nc(-c2cccnc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1B P36896 4/20 0.46
▸ TGFBR1 P36897 4/20 0.46
▸ DYRK1A Q13627 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ ACVRL1 P37023 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 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
SCHEMBL26295471 1.00 ACVR1B (0.46) ACVR1BTGFBR1DYRK1AACRTP53
SCHEMBL25403249 0.87 AHR (0.44) DYRK1ATP53P2RX7HCRTR1HCRTR2
SCHEMBL26295458 0.84 P2RX7 (0.46) TP53P2RX7POLBMEN1KMT2A
SCHEMBL26295479 0.81 P2RX7 (0.41) TP53CYP2C9P2RX7POLBMEN1
SCHEMBL26294348 0.80 ACVR1B (0.44) ACVR1BTGFBR1DYRK1AACRTP53
SCHEMBL25405675 0.80 AXL (0.42) DYRK1AP2RX7
SCHEMBL25404502 0.80 AXL (0.42) DYRK1AP2RX7
SCHEMBL25404507 0.80 AXL (0.42) DYRK1AP2RX7
SCHEMBL26294251 0.80 ACVR1B (0.43) ACVR1BTGFBR1TP53CYP2C9P2RX7
SCHEMBL30101935 0.79 ALDH1A1 (0.47) ADORA2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 — — US 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 ACVR1B 1003/4885TGFBR1 582/4885DYRK1A 2139/4885

“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.

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