SCHEMBL16310676

SCHEMBL16310676

COCCOc1ccc(F)cc1[C@H]1CCCN1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 7/20 0.53
▸ JAK2 O60674 5/20 0.53
▸ HTR2C P28335 6/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ NTRK3 Q16288 1/20 0.36

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
SCHEMBL16310706 0.84 SLC6A2 (0.44) HTR2CHTR2BHTR2A
SCHEMBL16373093 0.77 OPRM1 (0.38) NTRK1JAK2PTGDR2NTRK3
SCHEMBL4301339 0.77 NTRK1 (0.45) NTRK1JAK2HTR2CHTR2ACCNT1
SCHEMBL23230124 0.76 HTR1A (0.45) NTRK1JAK2HTR2CHTR2BHTR2A
SCHEMBL20016098 0.74 HTR2C (0.41) NTRK1JAK2HTR2CHTR2BHTR2A
SCHEMBL17359922 0.74 NTRK1 (0.44) NTRK1JAK2NTRK3
SCHEMBL16310668 0.74 NTRK1 (0.44) NTRK1JAK2NTRK3
SCHEMBL18790932 0.73 NTRK1 (0.44) NTRK1JAK2HTR2CHTR2BHTR2A
SCHEMBL16310758 0.73 OPRM1 (0.43) NTRK1
SCHEMBL16309081 0.72 MEN1 (0.45) NTRK1JAK2HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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

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-20150258076-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK NTRK1 4/4885JAK2 700/4885HTR2C 1800/4885
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK NTRK1 4/4885JAK2 700/4885HTR2C 1800/4885
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK NTRK1 4/4885JAK2 700/4885HTR2C 1800/4885
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK NTRK1 4/4885JAK2 700/4885HTR2C 1800/4885

“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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