SCHEMBL17536204

SCHEMBL17536204

Cc1c(C(=O)N(C)c2cccnc2)cnn1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
POLQ O75417 1/20 0.42
MLYCD O95822 1/20 0.41
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 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
SCHEMBL12978337 0.88 POLQ (0.43) TRPV1POLQMLYCDNOTUMHTT
SCHEMBL15472438 0.86 TRPV1 (0.48) TRPV1POLQNOTUMKMT2AMEN1
SCHEMBL12978274 0.86 TRPV1 (0.40) TRPV1POLQMLYCDNOTUMKMT2A
SCHEMBL12978275 0.84 TRPV1 (0.39) TRPV1POLQMLYCDNOTUMMAPT
SCHEMBL12978280 0.82 TRPV1 (0.38) TRPV1POLQMLYCDNOTUMMAPT
SCHEMBL15474209 0.79 MLYCD (0.40) TRPV1POLQMLYCDNOTUMKMT2A
SCHEMBL15472437 0.76 KMT2A (0.43) TRPV1POLQMLYCDNOTUMKMT2A
SCHEMBL9902711 0.75 NAMPT (0.45) RAB9AL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL16166157 0.73 KMT2A (0.47) TRPV1NOTUMKMT2AMEN1NPC1
SCHEMBL12978334 0.73 POLQ (0.42) TRPV1POLQMLYCDNOTUMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439427-B2 Pesticidal pyrazole compounds BASF SE (DE) 2016-09-13 US disclosed
US-20160050927-A1 Novel pesticidal pyrazole compounds BASF SE (DE) 2016-02-25 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-20160050927-A1 Novel pesticidal pyrazole compounds CYP51A1, PKM, NOTUM TRPV1 931/4885POLQ 4344/4885MLYCD 306/4885

“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.