SCHEMBL4096640

SCHEMBL4096640

CC(C)N1CCOCC1c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.43
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
SLC6A2 P23975 1/20 0.34
RIPK1 Q13546 1/20 0.34
NTRK1 P04629 5/20 0.34
NPY5R Q15761 1/20 0.33
HTR2B P41595 1/20 0.33
RORC P51449 1/20 0.32

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
SCHEMBL4301534 0.82 PIK3C3 (0.45) PIK3C3KDM1AKDM1BNTRK1
SCHEMBL4104823 0.82 KDM1A (0.41) PIK3C3KDM1AKDM1BRIPK1NTRK1
SCHEMBL2603305 0.81 HRH3 (0.38)
SCHEMBL23948269 0.79 NTRK1 (0.42) PIK3C3NTRK1
SCHEMBL4100964 0.79 NTRK1 (0.42) PIK3C3NTRK1
SCHEMBL23032153 0.79 NTRK1 (0.42) PIK3C3NTRK1
SCHEMBL18783106 0.79 PIK3C3 (0.43) PIK3C3KDM1AKDM1BSLC6A2NTRK1
SCHEMBL4105231 0.79 PIK3C3 (0.43) PIK3C3RIPK1NTRK1
SCHEMBL4102416 0.77 HTR2C (0.46) KDM1AKDM1BHTR2B
SCHEMBL25053363 0.77 HTR2C (0.46) KDM1AKDM1BHTR2B

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 43 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-10774085-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds ARRAY BIOPHARMA INC. (US) 2020-09-15 US disclosed
US-20190211017-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2019-07-11 US disclosed
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA INC. 2019-06-06 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-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-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-9795611-B2 Method of treatment using substituted imidazo[1,2b]pyridazine compounds ARRAY BIOPHARMA, INC. (US) 2017-10-24 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
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 WO disclosed
WO-2010048314-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-04-29 WO 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 (12 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 PIK3C3 1636/4885KDM1A 967/4885KDM1B 1237/4885
US-20110195948-A1 Substituted Pyrazolo[1,5-a]Pyrimidine Compounds as TRK Kinase Inhibitors PDXK, DTYMK, TNNI3K PIK3C3 185/4885KDM1A 1492/4885KDM1B 1859/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 PIK3C3 1733/4885KDM1A 2303/4885KDM1B 3827/4885
US-20190211017-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 PIK3C3 1733/4885KDM1A 2303/4885KDM1B 3827/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 PIK3C3 1733/4885KDM1A 2303/4885KDM1B 3827/4885
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 PIK3C3 1636/4885KDM1A 967/4885KDM1B 1237/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 PIK3C3 196/4885KDM1A 888/4885KDM1B 848/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 PIK3C3 1979/4885KDM1A 2183/4885KDM1B 3626/4885
US-10774085-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds TYMP, TYMS, P2RX7 PIK3C3 1733/4885KDM1A 2303/4885KDM1B 3827/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K PIK3C3 429/4885KDM1A 2325/4885KDM1B 3075/4885
US-20140194403-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS P2RX7, P2RX1, P2RX3 PIK3C3 2889/4885KDM1A 1481/4885KDM1B 3042/4885
US-20130217662-A1 METHOD OF TREATMENT USING SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS COL2A1, COL1A1, IFNAR1 PIK3C3 1636/4885KDM1A 967/4885KDM1B 1237/4885

“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.