SCHEMBL4296231

SCHEMBL4296231

CN1CCCC1(C)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
KDM1A O60341 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP2C19 P33261 2/20 0.39
HSD11B1 P28845 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B2 P80365 1/20 0.39
NTRK1 P04629 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 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
SCHEMBL4106374 0.80 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2KDM1AOPRD1
SCHEMBL16474358 0.80 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2KDM1AOPRD1
SCHEMBL28865635 0.80 PARP1 (0.38) SLC6A3SLC6A4SLC6A2OPRM1HSD11B1
SCHEMBL4296257 0.79 OPRM1 (0.44) SLC6A3SLC6A4SLC6A2OPRD1OPRM1
SCHEMBL28099410 0.77 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2KDM1AOPRD1
SCHEMBL29082026 0.74 GRIN1 (0.47) SLC6A3SLC6A4SLC6A2OPRD1OPRM1
SCHEMBL5110731 0.74 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2KDM1AOPRD1
SCHEMBL6926747 0.73 OPRD1 (0.66) SLC6A3SLC6A4SLC6A2KDM1AOPRD1
Ammonia Solution, Strong SCHEMBL29082373 0.73 GRIN1 (0.46) SLC6A3SLC6A4SLC6A2OPRD1OPRM1
SCHEMBL12203836 0.72 SLC6A4 (0.54) SLC6A3SLC6A4SLC6A2KDM1AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 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-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-9676783-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds ARRAY BIOPHARMA, INC. (US) 2017-06-13 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-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20150133429-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA, INC. 2015-05-14 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20170114068-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 SLC6A3 4060/4885SLC6A4 4406/4885SLC6A2 3497/4885
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK SLC6A3 3592/4885SLC6A4 3129/4885SLC6A2 4017/4885
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK SLC6A3 3592/4885SLC6A4 3129/4885SLC6A2 4017/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K SLC6A3 3663/4885SLC6A4 3164/4885SLC6A2 4043/4885
US-20150133429-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 SLC6A3 3450/4885SLC6A4 3704/4885SLC6A2 3227/4885
US-20150031667-A1 Substituted Pyrazolo [1,5-A] Pyrimidine Compounds as TRK Kinase Inhibitors TXK, FRK, LTK SLC6A3 3592/4885SLC6A4 3129/4885SLC6A2 4017/4885
US-20140194403-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS P2RX7, P2RX1, P2RX3 SLC6A3 3984/4885SLC6A4 4054/4885SLC6A2 3545/4885
US-20130217662-A1 METHOD OF TREATMENT USING SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS COL2A1, COL1A1, IFNAR1 SLC6A3 4060/4885SLC6A4 4406/4885SLC6A2 3497/4885
US-20150005499-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 SLC6A3 3450/4885SLC6A4 3704/4885SLC6A2 3227/4885

“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.