SCHEMBL10251494

SCHEMBL10251494

CC(C)c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL11872026 0.88 S1PR1 (0.45) CYP2C19KIF11S1PR1
SCHEMBL16367615 0.86 KCNH2 (0.37) KMT2AKDM4ECYP2D6HTR1DCNR2
SCHEMBL21698452 0.85 S1PR1 (0.42) MEN1KMT2APKMKDM4EHTR3E
SCHEMBL21698420 0.84 CNR2 (0.42) MEN1KMT2APKMKDM4EHTR3E
SCHEMBL4790064 0.79 MEN1 (0.42) MEN1KMT2AKDM4EHTR3EHTR3B
SCHEMBL10238327 0.79 MEN1 (0.47) MEN1KMT2APKMKDM4EHTR3E
SCHEMBL8058929 0.79 KDM4E (0.50) MEN1KMT2APKMKDM4EHTR3E
SCHEMBL18090934 0.78 GRM2 (0.48) MEN1KMT2APKMKDM4EHTR3E
SCHEMBL11873364 0.78 CCNT1 (0.33) KDM4EALDH1A1PIK3CA
SCHEMBL1748120 0.78 SMN1; SMN2 (0.53) MEN1KMT2APKMKDM4EHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-04-27 — — US disclosed
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-18 — — US disclosed
US-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-02 — — US disclosed
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 — — EP disclosed
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 — — US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 — — US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 — — US disclosed
WO-2012087630-A1 PYRIDINE AND PYRIMIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 — — WO disclosed
US-3987182-A NOVEL BENZIMIDAZOLES USEFUL AS ANTI-ANDROGENS SCHERING CORPORATION (US) 1976-10-19 — — 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 (6 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-10667517-B2 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 MEN1 932/4885KMT2A 2845/4885PKM 3390/4885
US-20200029567-A1 2-(Het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 MEN1 932/4885KMT2A 2845/4885PKM 3390/4885
US-10986840-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP1A1, CYP8B1, CYP1B1 MEN1 932/4885KMT2A 2845/4885PKM 3390/4885
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP8B1 MEN1 1624/4885KMT2A 2199/4885PKM 3933/4885
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS MEN1 1486/4885KMT2A 2581/4885PKM 1990/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS MEN1 1486/4885KMT2A 2581/4885PKM 1990/4885

“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.

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