SCHEMBL4096422

SCHEMBL4096422

CC(C)N1CC(O)CC1c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
JAK2 O60674 7/20 0.44
NTRK1 P04629 7/20 0.44
RIPK1 Q13546 4/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
SCD5 Q86SK9 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
SCHEMBL4105082 0.83 MAOB (0.39) JAK2NTRK1RIPK1MAOBMAOA
SCHEMBL4100966 0.83 MAOB (0.42) PIK3CDJAK2NTRK1RIPK1MAOB
SCHEMBL24443531 0.82 RIPK1 (0.48) PIK3CDRIPK1
SCHEMBL4289055 0.81 JAK2 (0.46) PIK3CDJAK2NTRK1RIPK1MAOB
SCHEMBL4096504 0.81 MAOB (0.38) JAK2NTRK1RIPK1MAOBMAOA
SCHEMBL4106377 0.81 MAOB (0.40) JAK2NTRK1RIPK1MAOBMAOA
SCHEMBL454745 0.77 RIPK1 (0.46) PIK3CDJAK2NTRK1RIPK1MAOB
SCHEMBL454486 0.77 RIPK1 (0.46) PIK3CDJAK2NTRK1RIPK1MAOB
SCHEMBL16474303 0.77 JAK2 (0.44) PIK3CDJAK2NTRK1RIPK1MAOB
SCHEMBL457570 0.77 RIPK1 (0.46) PIK3CDJAK2NTRK1RIPK1MAOB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 US disclosed
US-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2018-07-03 US disclosed
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2018-06-26 US disclosed
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2018-05-10 US disclosed
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2018-05-10 US disclosed
US-9796723-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 US 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-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds 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-20150005499-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA, INC. 2015-01-01 US disclosed
US-8865698-B2 Method of treatment using substituted pyrazolo[1,5-a]pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2014-10-21 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-20140194403-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2014-07-10 US disclosed
US-20130217662-A1 METHOD OF TREATMENT USING SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS ARRAY BIOPHARMA, INC. 2013-08-22 US disclosed
US-8513263-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-08-20 US disclosed
US-8450322-B2 Substituted imidazo[1,2b]pyridazine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-05-28 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
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-11 US disclosed
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 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 (11 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-10011604-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds COL2A1, COL1A1, IFNAR1 PIK3CD 3877/4885JAK2 223/4885NTRK1 466/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K PIK3CD 538/4885JAK2 186/4885NTRK1 27/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 PIK3CD 2967/4885JAK2 1199/4885NTRK1 2409/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 PIK3CD 2967/4885JAK2 1199/4885NTRK1 2409/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 PIK3CD 561/4885JAK2 152/4885NTRK1 1/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK PIK3CD 803/4885JAK2 124/4885NTRK1 7/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 PIK3CD 2424/4885JAK2 1795/4885NTRK1 1703/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K PIK3CD 754/4885JAK2 143/4885NTRK1 8/4885
US-20140194403-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS P2RX7, P2RX1, P2RX3 PIK3CD 4041/4885JAK2 372/4885NTRK1 2490/4885
US-20130217662-A1 METHOD OF TREATMENT USING SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS COL2A1, COL1A1, IFNAR1 PIK3CD 3877/4885JAK2 223/4885NTRK1 466/4885
US-20150005499-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 PIK3CD 2967/4885JAK2 1199/4885NTRK1 2409/4885

“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.