SCHEMBL9609563

SCHEMBL9609563

CC(C)(C)c1cc(C(F)(F)F)cnn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
AR P10275 1/20 0.33
GRM5 P41594 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK14 Q16539 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
CES2 O00748 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12553821 0.88 GABRA2 (0.33) GABRA2GABRB2KDM4EGRNSORT1
SCHEMBL278869 0.85 KDM4E (0.34) GABRB2KDM4EGRNSORT1POLB
SCHEMBL31381828 0.84 GABRA2 (0.34) GABRA2GABRB2ARGRM5AGBL2
SCHEMBL16578131 0.83 GABRA2 (0.33) GABRA2GABRB2ARKIF11KDM4E
SCHEMBL15907147 0.74 KDM4E (0.33) KDM4EGRNSORT1
SCHEMBL12778685 0.74 GRM5 (0.41) GRM5AGBL2KDM4EPKMALDH1A1
SCHEMBL25005973 0.73 CNR2 (0.38) GABRA2GABRB2
SCHEMBL24851879 0.71 GPR52 (0.39) GABRA2GABRB2
SCHEMBL16160076 0.71 KDM4E (0.34) KDM4EGRNSORT1POLBALDH1A1
SCHEMBL4430447 0.71 ALDH1A1 (0.36) GRM5AGBL2KIF11KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-20200231588-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2020-07-23 US disclosed
US-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 US disclosed
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2019-01-31 US disclosed
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMA INC (US) 2017-12-28 US disclosed
US-20160368917-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMA INC (US) 2016-12-22 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9278971-B2 Substituted acetylenic pyrazolo[1,5-a]pyrimidines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20130005738-A1 Monocyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8278307-B2 Monocyclic Heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090149471-A1 Monocyclic Heterocyclic Compounds ARIAD PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 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 (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-20090149471-A1 Monocyclic Heterocyclic Compounds CYP11B2, CYP3A5, CYP1A2 GABRA2 857/4885GABRB2 486/4885AR 952/4885
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA GABRA2 1607/4885GABRB2 1483/4885AR 774/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 GABRA2 939/4885GABRB2 822/4885AR 1011/4885
US-20130005738-A1 Monocyclic Heteroaryl Compounds CYP3A43, CYP2F1, CYP11B2 GABRA2 248/4885GABRB2 199/4885AR 709/4885
US-20160368917-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 GABRA2 170/4885GABRB2 120/4885AR 686/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA GABRA2 1607/4885GABRB2 1483/4885AR 774/4885
US-20190031656-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 GABRA2 3524/4885GABRB2 3256/4885AR 1681/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 GABRA2 170/4885GABRB2 120/4885AR 686/4885
US-20200231588-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 GABRA2 170/4885GABRB2 120/4885AR 686/4885
US-20170369446-A1 MONOCYCLIC HETEROARYL COMPOUNDS CYP3A43, CYP2F1, CYP11B2 GABRA2 248/4885GABRB2 199/4885AR 709/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 GABRA2 170/4885GABRB2 120/4885AR 686/4885
US-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 GABRA2 4102/4885GABRB2 4095/4885AR 894/4885

“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.