SCHEMBL19974053

SCHEMBL19974053

Cn1c(I)nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CHKA P35790 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
SCHEMBL18136192 0.82 KDM4E (0.45) —
SCHEMBL21230341 0.81 CA2 (0.37) QRFPRTRPV4CA2CHKA
SCHEMBL19974425 0.81 QRFPR (0.33) QRFPRTRPV4CA2CHKA
SCHEMBL21065788 0.81 ALOX15 (0.32) QRFPRTRPV4CA2CHKA
SCHEMBL29538895 0.81 QRFPR (0.33) QRFPRTRPV4CA2CHKA
SCHEMBL25888568 0.79 CNR2 (0.35) QRFPRTRPV4
SCHEMBL21698353 0.78 MCHR1 (0.34) QRFPRMCHR1
SCHEMBL20100075 0.78 S1PR1 (0.36) QRFPR
SCHEMBL22436278 0.77 — —
SCHEMBL19712050 0.76 S1PR1 (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512847-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BICYCLES BAYER CROPSCIENCE AG (DE) 2022-03-30 — — EP disclosed
US-20190375766-A1 PROCESS FOR PREPARING HALOGENATED BICYCLIC SYSTEMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-12-12 — — US disclosed
EP-3512847-A1 METHOD FOR PRODUCING HALOGENATED BICYCLIC COMPOUNDS Bayer CropScience Aktiengesellschaft (DE) 2019-07-24 — — EP disclosed
WO-2018050515-A1 METHOD FOR PRODUCING HALOGENATED BICYCLIC COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — 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-20190375766-A1 PROCESS FOR PREPARING HALOGENATED BICYCLIC SYSTEMS INTS6, POLR2H, NQO2 QRFPR 746/4885DHODH 1295/4885MCHR1 2514/4885

“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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