SCHEMBL4296167

SCHEMBL4296167

CN1CCCC1c1cc(F)cc(CCN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL16429280 0.87 L3MBTL3 (0.40) L3MBTL3SIGMAR1SLC6A3
SCHEMBL4102162 0.86 L3MBTL3 (0.39) L3MBTL3SIGMAR1SLC6A3
SCHEMBL16426170 0.86 L3MBTL3 (0.39) L3MBTL3SIGMAR1SLC6A3
SCHEMBL4106380 0.80 JAK2 (0.53) —
SCHEMBL12943769 0.77 SIGMAR1 (0.39) L3MBTL3SIGMAR1SLC6A3
SCHEMBL12943770 0.75 NTRK1 (0.44) —
SCHEMBL15906057 0.74 SIGMAR1 (0.49) SIGMAR1SLC6A3
SCHEMBL4106130 0.71 SIGMAR1 (0.46) SIGMAR1SLC6A3
SCHEMBL10241006 0.70 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5555141 0.68 HRH3 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 — — US disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 — — EP disclosed
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-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-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 L3MBTL3 1833/4885SIGMAR1 1254/4885CHRNB2 1458/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK L3MBTL3 1833/4885SIGMAR1 1254/4885CHRNB2 1458/4885
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK L3MBTL3 1833/4885SIGMAR1 1254/4885CHRNB2 1458/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K L3MBTL3 1873/4885SIGMAR1 1236/4885CHRNB2 1521/4885

“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