SCHEMBL10232889

SCHEMBL10232889

[C-]#[N+]c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.37
▸ AR P10275 9/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ KMO O15229 2/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL29958052 0.83 KIF11 (0.44) KIF11
SCHEMBL8330048 0.79 MPL (0.37) MPLARSLC22A12KMOPTPN7
SCHEMBL10232830 0.78 NOTUM (0.39) —
SCHEMBL29954400 0.78 HTR3E (0.47) —
SCHEMBL30642407 0.78 HTR3E (0.47) —
SCHEMBL10232891 0.78 ALKBH5 (0.37) AR
SCHEMBL2922332 0.75 CES2 (0.36) —
SCHEMBL29952900 0.73 HTR3E (0.36) KMOGRM4
SCHEMBL10232931 0.73 NOTUM (0.40) —
SCHEMBL12303902 0.73 NOTUM (0.40) AR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 — — US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 — — US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 — — US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 — — US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 — — 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 (4 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 MPL 121/4885AR 2563/4885SLC22A12 3684/4885
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 MPL 3823/4885AR 1251/4885SLC22A12 1180/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 MPL 3605/4885AR 2792/4885SLC22A12 1753/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 MPL 3823/4885AR 1251/4885SLC22A12 1180/4885

“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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