SCHEMBL4869824

SCHEMBL4869824

Cc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
HSP90AA1 P07900 6/20 0.53
HSP90AB1 P08238 1/20 0.53
HSP90B1 P14625 2/20 0.51
ESR2 Q92731 1/20 0.50
NR1H2 P55055 2/20 0.49
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PDGFRB P09619 1/20 0.45
MAPK1 P28482 1/20 0.43
GRAMD1A Q96CP6 1/20 0.42
ENPP2 Q13822 1/20 0.42
HPGDS O60760 1/20 0.42
MAP3K5 Q99683 1/20 0.41

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
SCHEMBL31073472 0.90 MAPT (0.55) MAPTHSP90AA1HSP90AB1HSP90B1ESR2
SCHEMBL20078108 0.88 DDB1 (0.53) MAPTHSP90AA1HSP90AB1HSP90B1ESR2
SCHEMBL30378007 0.87 MAPT (0.67) MAPTHSP90AA1HSP90AB1HSP90B1ESR2
SCHEMBL25574538 0.87 MAPT (0.67) MAPTHSP90AA1HSP90AB1HSP90B1ESR2
SCHEMBL29757600 0.86 MAPT (0.65) MAPTHSP90AA1HSP90AB1ESR2NR1H2
SCHEMBL19475563 0.86 MAPT (0.65) MAPTHSP90AA1HSP90AB1ESR2NR1H2
SCHEMBL3530060 0.86 MAPT (0.65) MAPTHSP90AB1ESR2NR1H2DDB1
SCHEMBL17183931 0.86 MAPT (0.65) MAPTHSP90AA1HSP90AB1ESR2NR1H2
SCHEMBL3878893 0.85 MAPT (0.64) MAPTHSP90AA1HSP90B1ESR2NR1H2
SCHEMBL29448378 0.85 MAPT (0.64) MAPTHSP90AA1HSP90B1ESR2NR1H2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 US disclosed
US-9388176-B2 Method of treating conditiions with kinase inhibitors ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-8889870-B2 Kinase inhibitors ALLERGAN, INC. (US) 2014-11-18 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 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 (8 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MAPT 3014/4885HSP90AA1 3454/4885HSP90AB1 3373/4885
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 MAPT 2008/4885HSP90AA1 2744/4885HSP90AB1 1951/4885
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 MAPT 3696/4885HSP90AA1 2959/4885HSP90AB1 2597/4885
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN MAPT 3009/4885HSP90AA1 3672/4885HSP90AB1 3184/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 MAPT 2899/4885HSP90AA1 3762/4885HSP90AB1 3254/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 MAPT 2008/4885HSP90AA1 2744/4885HSP90AB1 1951/4885
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS CDK5, MAP3K1, ALDH1A2 MAPT 2168/4885HSP90AA1 1912/4885HSP90AB1 1156/4885
US-20130237538-A1 KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K2 MAPT 3468/4885HSP90AA1 1111/4885HSP90AB1 800/4885

“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.