SCHEMBL4301516

SCHEMBL4301516

CN1CCCC1c1cc(F)ccc1OCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.54
▸ JAK2 O60674 4/20 0.54
▸ NTRK3 Q16288 1/20 0.42
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL19560120 0.88 NTRK1 (0.55) NTRK1JAK2NTRK3CYP1A2KDM4E
SCHEMBL4106152 0.87 NTRK1 (0.52) NTRK1JAK2NTRK3USP2CYP1A2
SCHEMBL4301339 0.83 NTRK1 (0.45) NTRK1JAK2NTRK3CCNT1CDK9
SCHEMBL10241011 0.78 CCNT1 (0.52) CCNT1CDK9
SCHEMBL4296488 0.76 JAK2 (0.51) NTRK1JAK2USP2
SCHEMBL20016098 0.74 HTR2C (0.41) NTRK1JAK2CCNT1CDK9
SCHEMBL16429312 0.74 JAK2 (0.55) NTRK1JAK2KDM4E
SCHEMBL21400030 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3
SCHEMBL21400027 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3
SCHEMBL4291250 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3

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-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-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 (3 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 NTRK1 7/4885JAK2 124/4885NTRK3 14/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K NTRK1 8/4885JAK2 143/4885NTRK3 21/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK NTRK1 7/4885JAK2 124/4885NTRK3 14/4885

“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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