SCHEMBL26422943

SCHEMBL26422943

Cc1nccnc1-c1ccc(OC(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.36
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
KCNH2 Q12809 2/20 0.33
TNKS2 Q9H2K2 4/20 0.33
TNKS O95271 2/20 0.33
CACNA1I Q9P0X4 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
MAT2A P31153 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ROCK1 Q13464 1/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL23329672 0.82 TGFBR1 (0.34) MBOAT4TGFBR1TGFBR2KCNH2TNKS2
SCHEMBL24844401 0.81 CRHR1 (0.33) MBOAT4TGFBR1TGFBR2TNKS2TNKS
SCHEMBL31375571 0.74 CHRNA7 (0.46) TGFBR1TGFBR2GAAMAPTALDH1A1
SCHEMBL12147787 0.72 RXRA (0.41) MBOAT4MAPTKDM4ERXRAGRIN1
SCHEMBL24845019 0.71 CYP3A4 (0.31) KCNH2
SCHEMBL25323581 0.70 CSNK1D (0.34) TGFBR1TGFBR2KCNH2TNKS2TNKS
SCHEMBL26422208 0.69 CCR1 (0.35) GAAALDH1A1RAB9AKDM4E
SCHEMBL9061724 0.68 RXFP1 (0.49) MAPTMAT2AALDH1A1RAB9AKDM4E
SCHEMBL9061054 0.68 CCR1 (0.48) KCNH2GAAMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL19837577 0.67 ROCK1 (0.37) MBOAT4GAAMAPTALDH1A1RAB9A

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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 MBOAT4 4378/4885TGFBR1 1523/4885TGFBR2 1859/4885

“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.