SCHEMBL789923

SCHEMBL789923

Cc1cc(C)nc(Sc2ccc(C(=O)N(C)c3cccnc3)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
HSD17B10 Q99714 5/20 0.41
MLYCD O95822 1/20 0.39
NOTUM Q6P988 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM1 Q13255 1/20 0.37
HTT P42858 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL12978091 0.90 RAB9A (0.46) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978092 0.89 TRPV1 (0.48) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978090 0.88 TRPV1 (0.50) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978147 0.86 TRPV1 (0.43) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978169 0.86 HTT (0.52) TRPV1HSD17B10KDM4EALDH1A1KMT2A
SCHEMBL791942 0.86 TRPV1 (0.45) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978210 0.86 ALDH1A1 (0.35) TRPV1HSD17B10RAB9AKDM4EALDH1A1
SCHEMBL789921 0.84 TRPV1 (0.47) TRPV1HSD17B10MLYCDNOTUMRAB9A
SCHEMBL12978226 0.83 GAA (0.55) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL12978221 0.83 HTT (0.39) TRPV1HSD17B10NOTUMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 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 (2 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C TRPV1 1012/4885HSD17B10 1318/4885MLYCD 2218/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885HSD17B10 2868/4885MLYCD 654/4885

“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.