SCHEMBL31162500

SCHEMBL31162500

Cn1ncc2cc(Br)cc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NMT1 P30419 2/20 0.33
GAA P10253 1/20 0.32
GRM4 Q14833 1/20 0.31
THRB P10828 1/20 0.31
MAOB P27338 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30

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
SCHEMBL19836577 1.00 IDO1 (0.35) IDO1HTTSMN1; SMN2NMT1GAA
SCHEMBL26031692 0.81 PDE2A (0.35) GRM4MAOBTUBB4ATUBBTUBA3C
SCHEMBL17875685 0.81 PRNP (0.34) HTTNMT1
SCHEMBL6523394 0.79 NMT1 (0.34) HTTSMN1; SMN2NMT1EGLN1
SCHEMBL27142029 0.78 IDO1 (0.33) IDO1NMT1
SCHEMBL16728681 0.78 NMT1 (0.42) NMT1MAOB
SCHEMBL26024416 0.77 TRPA1 (0.40) HTTNMT1GAA
SCHEMBL26022513 0.76 TUBB4A (0.36) HTTGRM4MAOBTUBB4ATUBB
SCHEMBL19836566 0.75 MAPK1 (0.33) GRM4
SCHEMBL26023147 0.75 DRD4 (0.34)

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-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2024-10-10 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-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 DDR1, DDR2, DDRGK1 IDO1 627/4885HTT 3544/4885SMN1; SMN2 2602/4885

“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.