SCHEMBL3060822

SCHEMBL3060822

Cc1cn(-c2ccc(C(F)(F)F)cc2)nc1I

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
BRAF P15056 2/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
KCNH2 Q12809 1/20 0.40
CTSS P25774 2/20 0.39
AADAT Q8N5Z0 1/20 0.39
PTGS2 P35354 2/20 0.38
CASR P41180 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL6151773 0.83 NOTUM (0.44) NOTUMBRAFSRCKDRADORA3
SCHEMBL31596301 0.80 NOTUM (0.45) NOTUMBRAFSRCKDRADORA3
SCHEMBL31466423 0.80 L3MBTL1 (0.43)
SCHEMBL19807433 0.78 KCNH2 (0.41) NOTUMBRAFSRCKDRADORA3
SCHEMBL27497539 0.78 SRC (0.40) NOTUMBRAFSRCKDRADORA3
SCHEMBL17973836 0.78 CTSS (0.47) NOTUMBRAFSRCKDRADORA3
SCHEMBL17814158 0.78 CTSS (0.47) NOTUMBRAFSRCKDRADORA3
SCHEMBL27496521 0.78 SRC (0.40) NOTUMBRAFSRCKDRADORA3
SCHEMBL17803164 0.76 NOTUM (0.52) NOTUMBRAFSRCKDRADORA3
SCHEMBL3961080 0.73 ADORA3 (0.48) NOTUMBRAFSRCKDRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
EP-2225211-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES DU PONT (US) 2013-10-02 EP disclosed
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 EP disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 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-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES CYP1A1, CYP1B1, CBR3 NOTUM 1219/4885BRAF 1991/4885SRC 2971/4885

“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.