SCHEMBL20100075

SCHEMBL20100075

CC(C)c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.30
▸ MAP3K12 Q12852 1/20 0.30
▸ KDM5B Q9UGL1 2/20 0.30
▸ QRFPR Q96P65 1/20 0.30

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
SCHEMBL19712049 0.88 S1PR1 (0.35) S1PR1CYP2D6MAP3K12QRFPR
SCHEMBL19712050 0.88 S1PR1 (0.35) S1PR1CYP2D6MAP3K12QRFPR
SCHEMBL22931309 0.88 CCNT1 (0.30) CCNT1CDK9
SCHEMBL21698390 0.86 S1PR1 (0.40) S1PR1CYP3A4CYP2C19MAP3K12QRFPR
SCHEMBL21698427 0.86 S1PR1 (0.40) S1PR1CYP3A4CYP2C19MAP3K12QRFPR
SCHEMBL18136192 0.80 KDM4E (0.45) CYP3A4TSHR
SCHEMBL21065788 0.78 ALOX15 (0.32) QRFPR
SCHEMBL19974425 0.78 QRFPR (0.33) QRFPR
SCHEMBL21230341 0.78 CA2 (0.37) QRFPR
SCHEMBL29538895 0.78 QRFPR (0.33) QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356362-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES USEFUL AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-03 — — EP disclosed
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-18 — — 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-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 — — US disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 — — US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 S1PR1 2044/4885CYP3A4 277/4885CYP2D6 1136/4885
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP8B1 S1PR1 2525/4885CYP3A4 25/4885CYP2D6 102/4885
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS S1PR1 2273/4885CYP3A4 78/4885CYP2D6 470/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS S1PR1 2273/4885CYP3A4 78/4885CYP2D6 470/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 S1PR1 2044/4885CYP3A4 277/4885CYP2D6 1136/4885

“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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