SCHEMBL3334563

SCHEMBL3334563

Cc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2A6 P11509 2/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
HSD11B1 P28845 1/20 0.35
DHODH Q02127 1/20 0.35
RAC1 P63000 2/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL3331683 0.93 CYP1A2 (0.43) IKBKBCYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3333863 0.86 IKBKB (0.38) IKBKBCYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3338724 0.84 RAC1 (0.39) IKBKBCYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3311229 0.81 RAPGEF4 (0.35) SMN1; SMN2SRCCYP11B1CYP11B2
SCHEMBL3313721 0.80 RAB9A (0.37) IKBKBALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL3331310 0.76 RAC1 (0.39) IKBKBCYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3334292 0.76 IKBKB (0.45) IKBKBCYP1A2CYP2A6ESR1ESR2
SCHEMBL13165373 0.76 MAOB (0.45) SMN1; SMN2
SCHEMBL3334028 0.74 SMN1; SMN2 (0.45) IKBKBCYP1A2ALDH1A1CYP2C9HPGD
SCHEMBL3971627 0.73 RAB9A (0.39) IKBKBALDH1A1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144674-A1 PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-06-10 US claimed
EP-2077997-A1 PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-07-15 EP claimed
WO-2008049585-A1 PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-02 WO claimed
US-20100144674-A1 PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-06-10 US disclosed
EP-2077997-A1 PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-07-15 EP disclosed
WO-2008049585-A1 PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-02 WO disclosed
EP-1916240-A1 Pyridazine derivatives Syngeta Participations AG (CH) 2008-04-30 EP 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-20100144674-A1 PYRIDAZINE DERIVATIVES C3AR1, C1S, CBR3 IKBKB 4112/4885CYP1A2 203/4885CYP2A6 763/4885

“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.