SCHEMBL17801739

SCHEMBL17801739

c1cncc(-c2nc3ccc(-n4ccnc4)cc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.50
MAOA P21397 5/20 0.49
MAOB P27338 5/20 0.49
CYP3A4 P08684 5/20 0.48
CYP2A6 P11509 1/20 0.48
CYP19A1 P11511 2/20 0.46
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PIK3CA P42336 1/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL17801756 0.80 NPC1 (0.54) NPC1RAB9ACYP3A4CYP2A6PIK3CD
SCHEMBL17801770 0.76 APP (0.57) NPC1RAB9APIK3CACYP1A2ALDH1A1
SCHEMBL16724608 0.76 RAB9A (0.59) NPC1RAB9ACYP3A4LMNAALDH1A1
SCHEMBL17801773 0.75 NPC1 (0.49) NPC1RAB9ACYP3A4PIK3CDPIP5K1C
SCHEMBL17801698 0.75 NPC1 (0.52) NPC1RAB9ACYP3A4CYP2A6CYP19A1
SCHEMBL17801714 0.75 NPC1 (0.66) NPC1RAB9ACYP19A1PIK3CDPIP5K1C
SCHEMBL30420821 0.75 RAB9A (0.66) NPC1RAB9ACYP19A1PIK3CDPIP5K1C
SCHEMBL17801681 0.75 NPC1 (0.66) NPC1RAB9ACYP3A4CYP2A6CYP19A1
SCHEMBL11778594 0.75 MAPT (0.70) NPC1RAB9APIK3CDPIP5K1CPIK3CA
SCHEMBL15125073 0.75 RAB9A (0.66) NPC1RAB9ACYP3A4CYP2A6PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885NCOA3 2958/4885

“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.