SCHEMBL4296695

SCHEMBL4296695

COc1ccccc1C1COCCN1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
CHRNA7 P36544 1/20 0.41
HTR2C P28335 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
CYP19A1 P11511 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL18784918 0.81 DRD2 (0.44) DRD2CHRNA7HTR2CHTR2AHTR2B
SCHEMBL4095123 0.81 DRD2 (0.40) DRD2CHRNA7HTR2CHTR2AHTR2B
SCHEMBL13162086 0.78 MAOB (0.42) CHRNA7
SCHEMBL24005479 0.78 BACE1 (0.44) HTR2CHTR2AHTR2BCYP2D6KDM4E
SCHEMBL24005859 0.78 ACHE (0.40) DRD2CHRNA7
SCHEMBL29643357 0.78 HSP90AA1 (0.42) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL13162085 0.76 CHRNB4 (0.54) DRD2CHRNA7ALDH1A1
SCHEMBL24005468 0.76 ACHE (0.38) CHRNA7MEN1KMT2A
SCHEMBL16130557 0.74 CHRNB2 (0.55) CHRNA7MEN1KMT2ATSHRATM
SCHEMBL16130585 0.74 CHRNB2 (0.55) CHRNA7MEN1KMT2ATSHRATM

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 44 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-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 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-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
EP-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 EP disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP disclosed
EP-2350071-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-01-08 EP 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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-07-07 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 DRD2 4475/4885CHRNA7 205/4885HTR2C 715/4885
US-20180127427-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 DRD2 4782/4885CHRNA7 346/4885HTR2C 2225/4885
US-20190211017-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 DRD2 4782/4885CHRNA7 346/4885HTR2C 2225/4885
US-10005783-B2 Method of treatment using substituted pyrazolo[1,5-a] pyrimidine compounds TYMP, TYMS, P2RX7 DRD2 4782/4885CHRNA7 346/4885HTR2C 2225/4885
US-20110166122-A1 SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINE COMPOUNDS AS TRK KINASE INHIBITORS NTRK1, NTRK3, NTRK2 DRD2 2822/4885CHRNA7 855/4885HTR2C 700/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK DRD2 3149/4885CHRNA7 1076/4885HTR2C 1796/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 DRD2 4760/4885CHRNA7 337/4885HTR2C 2844/4885
US-10774085-B2 Method of treatment using substituted pyrazolo[1,5-A] pyrimidine compounds TYMP, TYMS, P2RX7 DRD2 4782/4885CHRNA7 346/4885HTR2C 2225/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K DRD2 3187/4885CHRNA7 1061/4885HTR2C 1715/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 DRD2 3904/4885CHRNA7 641/4885HTR2C 1920/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK DRD2 3220/4885CHRNA7 1138/4885HTR2C 1834/4885
US-20130217662-A1 METHOD OF TREATMENT USING SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINE COMPOUNDS COL2A1, COL1A1, IFNAR1 DRD2 4475/4885CHRNA7 205/4885HTR2C 715/4885

“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.