SCHEMBL562293

SCHEMBL562293

FC(F)(F)c1cc(Cl)nc(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
SLC6A4 P31645 6/20 0.48
KCNH2 Q12809 6/20 0.48
ADCY10 Q96PN6 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PSD A5PKW4 2/20 0.43
LIMK1 P53667 1/20 0.42
KCNN3 Q9UGI6 1/20 0.40
CXCR2 P25025 2/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL25113428 0.87 HSP90AB1 (0.54) TACR1SLC6A4KCNH2ADCY10PSD
SCHEMBL14458700 0.75 TACR1 (0.40) TACR1SLC6A4KCNH2KCNN3
SCHEMBL18379218 0.75 TACR1 (0.40) TACR1SLC6A4KCNH2ALDH1A1
SCHEMBL4018534 0.75 TACR1 (0.40) TACR1SLC6A4KCNH2KCNN3
SCHEMBL30092277 0.75 TACR1 (0.40) TACR1SLC6A4KCNH2ALDH1A1
SCHEMBL561528 0.75 TACR1 (0.42) TACR1SLC6A4KCNH2
SCHEMBL30498297 0.75 TACR1 (0.40) TACR1SLC6A4KCNH2KCNN3
SCHEMBL30048202 0.74 HTR2B (0.47) SLC6A4KCNN3
SCHEMBL18187028 0.74 HTR2B (0.47) SLC6A4KCNN3
Hydrochloric Acid SCHEMBL20400475 0.74 TACR1 (0.40) TACR1SLC6A4KCNH2KCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 US claimed
EP-2420492-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE Ishihara Sangyo Kaisha, Ltd. (JP) 2012-02-22 EP disclosed
US-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-09 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 (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-20120035372-A1 METHOD FOR PRODUCING 2-HALOGENO-6-SUBSTITUTED-4-TRIFLUOROMETHYLPYRIDINE RDX, CYP4X1, BRIX1 TACR1 3293/4885SLC6A4 2198/4885KCNH2 72/4885

“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.