SCHEMBL3311229

SCHEMBL3311229

Cc1ccc(-c2c(C)nnc(F)c2-c2c(F)cc(F)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
NFE2L2 Q16236 1/20 0.32
NOTUM Q6P988 1/20 0.32
PTGS2 P35354 4/20 0.31
RPS6KA3 P51812 2/20 0.31
PTGS1 P23219 2/20 0.30
SRC P12931 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
SCHEMBL3966184 0.92 RAPGEF4 (0.38) RAPGEF4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3313721 0.89 RAB9A (0.37) RAPGEF4GABRA1GABRG2GABRB3GABRA5
SCHEMBL1873945 0.84 KMT2A (0.34) RAPGEF4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3971627 0.82 RAB9A (0.39) RAPGEF4GABRA1GABRG2GABRB3GABRA5
SCHEMBL3334563 0.81 IKBKB (0.40) SMN1; SMN2SRCCYP11B1CYP11B2
SCHEMBL3311645 0.81 ERBB2 (0.37) RAPGEF4RAB9ANPC1CYP11B1CYP11B2
SCHEMBL3582802 0.79 NPC1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1043323 0.78 ACHE (0.48) RAPGEF4MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL1869939 0.78 RAB9A (0.36) RAPGEF4GABRA1GABRG2GABRB3GABRA5
SCHEMBL13165373 0.78 MAOB (0.45) RAPGEF4RAB9AMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
EP-2121629-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-11-25 EP claimed
WO-2008049584-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-02 WO claimed
US-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2121629-A1 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008049584-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-02 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-20100113457-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S RAPGEF4 3305/4885GABRA1 4254/4885GABRG2 4102/4885

“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.