SCHEMBL15037794

SCHEMBL15037794

Fc1cc(OC(F)F)cc([C@H]2CCCN2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ RIPK1 Q13546 4/20 0.31
▸ SLC6A4 P31645 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL15037563 0.82 RIPK1 (0.36) RIPK1
SCHEMBL19547168 0.78 NTRK1 (0.35) P2RX7JAK2NTRK1
SCHEMBL19547155 0.77 JAK2 (0.33) P2RX7JAK2NTRK1
SCHEMBL16310708 0.74 SLC6A4 (0.36) JAK2NTRK1SLC6A4TMEM97SIGMAR1
SCHEMBL19547188 0.71 JAK2 (0.35) JAK2NTRK1SLC6A4TMEM97SIGMAR1
SCHEMBL16373093 0.71 OPRM1 (0.38) JAK2NTRK1SLC6A4
SCHEMBL16335745 0.69 NTRK1 (0.39) JAK2NTRK1
SCHEMBL19562726 0.69 KCNH2 (0.38) SLC6A4
SCHEMBL15039530 0.69 KCNH2 (0.38) SLC6A4
Hydrochloric Acid SCHEMBL15017162 0.68 KCNH2 (0.37) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 — — EP disclosed
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-21 — — US disclosed
US-9670207-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-06-06 — — US disclosed
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-09-15 — — US disclosed
US-9402833-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-08-02 — — US disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 — — US disclosed
US-20150258076-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-09-17 — — US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 — — US disclosed
US-9045478-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 — — US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 — — US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 — — US disclosed
WO-2013088257-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-06-20 — — 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 (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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 P2RX7 1991/4885JAK2 1141/4885NTRK1 1/4885
US-20150258076-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK P2RX7 889/4885JAK2 700/4885NTRK1 4/4885
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK P2RX7 889/4885JAK2 700/4885NTRK1 4/4885
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK P2RX7 889/4885JAK2 700/4885NTRK1 4/4885
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK P2RX7 889/4885JAK2 700/4885NTRK1 4/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 P2RX7 1991/4885JAK2 1141/4885NTRK1 1/4885

“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.

Send feedback