SCHEMBL2392391

SCHEMBL2392391

c1cnc2sc3c(N4CCNCC4)ncnc3c2c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.73
HTR2C P28335 3/20 0.69
PRKCI P41743 2/20 0.65
CLK1 P49759 2/20 0.53
CDC7 O00311 1/20 0.53
LIMK1 P53667 1/20 0.53
DBF4 Q9UBU7 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
KIT P10721 2/20 0.50
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19805181 0.84 PRKCI (0.64) PIK3CAHTR2CPRKCI
SCHEMBL614900 0.82 HTR2C (1.00) PIK3CAHTR2CPRKCILIMK1HRH4
SCHEMBL3868451 0.81 PIK3CA (0.67) PIK3CAHTR2CPRKCICLK1CDC7
SCHEMBL19805137 0.80 HTR2C (0.62) PIK3CAHTR2CPRKCILIMK1HRH4
SCHEMBL3868449 0.80 PIK3CA (0.66) PIK3CAHTR2CPRKCICLK1CDC7
SCHEMBL19805144 0.79 PRKCI (0.67) PIK3CAHTR2CPRKCILIMK1KIT
SCHEMBL14986509 0.79 PRKCI (1.00) PIK3CAPRKCI
SCHEMBL5095247 0.78 HTR2C (0.90) PIK3CAHTR2CPRKCILIMK1HRH4
SCHEMBL19805167 0.76 PIK3CA (0.60) PIK3CAHTR2CPRKCITSHRKMT2A
SCHEMBL14986502 0.76 PRKCI (1.00) PIK3CAPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 US disclosed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 WO disclosed
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US disclosed
US-20110212929-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-09-01 US disclosed
EP-1678166-B1 PROTEIN KINASE INHIBITORS UNIV ARIZONA (US) 2009-07-29 EP disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-7335662-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-26 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326713-B2 Substituted tricyclic compound as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 US disclosed
EP-1678166-A2 PROTEIN KINASE INHIBITORS Arizona Board of Regents on behalf of The University of Arizona (US) 2006-07-12 EP disclosed
US-20050277658-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-15 US disclosed
US-20050239794-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-27 US disclosed
US-20050239793-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-27 US disclosed
US-20050227992-A1 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-10-13 US disclosed
WO-2005037825-A2 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-04-28 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 (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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM PIK3CA 1949/4885HTR2C 4260/4885PRKCI 3195/4885
US-20050227992-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20050277658-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PIK3CA 1949/4885HTR2C 4260/4885PRKCI 3195/4885
US-20050239794-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20050239793-A1 Protein kinase inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20130302303-A1 PROTEIN KINASE INHIBITORS CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20110212929-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 PIK3CA 206/4885HTR2C 4038/4885PRKCI 100/4885

“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.