SCHEMBL17801734

SCHEMBL17801734

CCC(=O)Nc1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
LMNA P02545 3/20 0.61
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 3/20 0.57
PKM P14618 1/20 0.57
TP53 P04637 1/20 0.53
DYRK1A Q13627 1/20 0.53
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL28175317 0.91 LMNA (0.64) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL28175318 0.84 MAPT (0.57) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL17802503 0.83 RAB9A (0.49) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL17801741 0.78 NPC1 (0.51) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL22275031 0.78 LMNA (0.85) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL10599193 0.77 NPC1 (0.80) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL13766312 0.76 NPC1 (0.61) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL17801688 0.76 KDM4E (0.74) MAPTLMNARAB9ANPC1KDM4E
SCHEMBL30828341 0.76 APP (0.53) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL19538968 0.76 CYP3A4 (0.60) MAPTLMNARAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 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-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
CN-107207529-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
CN-107207490-A Bicyclic compounds as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
WO-2016087373-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
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 (3 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 MAPT 3485/4885LMNA 846/4885RAB9A 736/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 MAPT 3026/4885LMNA 792/4885RAB9A 524/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 MAPT 3485/4885LMNA 846/4885RAB9A 736/4885

“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.