SCHEMBL29659802

SCHEMBL29659802

CC(=O)c1nccnc1-c1ccc(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.40
TGFBR2 P37173 2/20 0.39
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GABRA5 P31644 5/20 0.36
PTGS2 P35354 1/20 0.35
NR1I2 O75469 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC4 P56524 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
GRM5 P41594 1/20 0.33
LDHA P00338 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
SCHEMBL22510347 1.00 TGFBR1 (0.40) TGFBR1TGFBR2NPC1RXFP1GABRA5
SCHEMBL29659828 0.81 HDAC3 (0.34) TGFBR1NPC1HDAC4LDHA
SCHEMBL22510346 0.81 ALDH1A1 (0.40) NPC1RXFP1
SCHEMBL29659808 0.81 ALDH1A1 (0.40) NPC1RXFP1
SCHEMBL29659853 0.81 PTK2 (0.42) TGFBR1TGFBR2NPC1GABRA5PTGS2
SCHEMBL22498633 0.81 PTK2 (0.42) TGFBR1TGFBR2NPC1GABRA5PTGS2
SCHEMBL22498649 0.81 HDAC3 (0.34) TGFBR1NPC1HDAC4LDHA
SCHEMBL22497920 0.77 ALDH1A1 (0.40) GRM5
SCHEMBL29434535 0.77 ALDH1A1 (0.40) GRM5
SCHEMBL22497918 0.75 CACNA1I (0.44) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527325-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2026-01-20 US disclosed
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230002359-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-01-05 US disclosed
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 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 (4 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-12527325-B2 Pesticidally active diazine-amide compounds DDT, CHRM1, C3AR1 TGFBR1 434/4885TGFBR2 978/4885NPC1 1028/4885
US-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 TGFBR1 1523/4885TGFBR2 1859/4885NPC1 1705/4885
US-20230002359-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 TGFBR1 1553/4885TGFBR2 1914/4885NPC1 1608/4885
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 TGFBR1 1431/4885TGFBR2 2040/4885NPC1 3098/4885

“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.