SCHEMBL4105144

SCHEMBL4105144

CC(C)N1CCCC1c1cc(F)ccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.41
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ NTRK1 P04629 10/20 0.41
▸ JAK2 O60674 6/20 0.41
▸ NTRK3 Q16288 1/20 0.39
▸ HTR2C P28335 5/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ HTR2B P41595 3/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37

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
SCHEMBL4106152 0.85 NTRK1 (0.52) NTRK1JAK2NTRK3PTGDR2HCRTR1
SCHEMBL4301339 0.84 NTRK1 (0.45) NTRK1JAK2NTRK3HTR2CHTR2A
SCHEMBL18790932 0.83 NTRK1 (0.44) KCNH2TMEM97SIGMAR1NTRK1JAK2
SCHEMBL4102308 0.83 JAK2 (0.52) KCNH2NTRK1JAK2HTR2CHTR2A
SCHEMBL4104895 0.83 SLC6A2 (0.42) HTR2CHTR2AHTR2B
SCHEMBL23948269 0.77 NTRK1 (0.42) NTRK1JAK2NTRK3
SCHEMBL4100964 0.77 NTRK1 (0.42) NTRK1JAK2NTRK3
SCHEMBL23032153 0.77 NTRK1 (0.42) NTRK1JAK2NTRK3
SCHEMBL4102105 0.76 NTRK1 (0.55) NTRK1JAK2NTRK3HTR2CHTR2A
SCHEMBL4105109 0.75 OPRM1 (0.39) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 — — US disclosed
US-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 — — US disclosed
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 — — US disclosed
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 — — US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 — — US disclosed
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 — — US disclosed
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA, INC. 2015-01-29 — — US disclosed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 — — US disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 — — 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-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK KCNH2 1764/4885TMEM97 2771/4885SIGMAR1 1254/4885
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK KCNH2 1764/4885TMEM97 2771/4885SIGMAR1 1254/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K KCNH2 1604/4885TMEM97 2718/4885SIGMAR1 1236/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK KCNH2 1764/4885TMEM97 2771/4885SIGMAR1 1254/4885

“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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