SCHEMBL799380

SCHEMBL799380

CNC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
RAB9A P51151 3/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
KIF11 P52732 1/20 0.58
EPHX1 P07099 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
EPHX2 P34913 2/20 0.57
TP53 P04637 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HPGD P15428 1/20 0.54
NPC1 O15118 3/20 0.54
MAPK14 Q16539 1/20 0.51
STING1 Q86WV6 1/20 0.50

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
SCHEMBL19707622 0.90 RAB9A (0.76) RAB9AKMT2AMEN1CA12CA1
SCHEMBL10155599 0.85 ALDH1A1 (0.78) ALDH1A1RAB9AKMT2AEPHX1SMN1; SMN2
SCHEMBL12894469 0.84 KIF11 (0.58) ALDH1A1RAB9AKMT2AMEN1CA12
SCHEMBL4117858 0.82 RAB9A (0.67) RAB9AKMT2AMEN1CA12CA1
SCHEMBL22588926 0.82 RAB9A (0.67) ALDH1A1RAB9AKMT2AMEN1CA12
SCHEMBL23343705 0.82 RAB9A (0.62) RAB9AKMT2AMEN1CA12CA1
SCHEMBL4105821 0.82 RAB9A (0.67) ALDH1A1RAB9AKMT2AMEN1CA12
SCHEMBL4111411 0.82 MEN1 (0.67) ALDH1A1RAB9AKMT2AMEN1CA12
SCHEMBL4118082 0.81 RAB9A (0.65) RAB9AKMT2AMEN1CA12CA1
SCHEMBL10857107 0.80 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
WO-2024086664-A2 COVALENT INHIBITORS OF WILD-TYPE AND MUTANT PI3K AND METHOD OF USES THEREOF TOTUS MEDICINES INC. (US) 2024-04-25 WO disclosed
WO-2023183936-A2 COMBINATION THERAPY OF A PI3K INHIBITOR AND KRAS INHIBITOR AND METHODS OF USE THEREOF TOTUS MEDICINES INC. (US) 2023-09-28 WO disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-07-07 US disclosed
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
WO-2021055747-A1 THERAPEUTIC CONJUGATES TOTUS MEDICINES INC. (US) 2021-03-25 WO disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
CN-104320972-B Herbicidal composition comprising uracil compound as active ingredient 东部福阿母韩农株式会社 2017-05-24 CN disclosed
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-18 US disclosed
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-01-24 US disclosed
WO-2012052730-A1 USE OF PI3K INIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-0536316-A4 ANTIHYPERCHOLESTEROLEMIC BIS-TRIFLUOROMETHYL-SUBSTITUTED IMIDAZOLINES AND DERIVATIVES THEREOF 1993-11-18 EP disclosed
EP-0536316-A1 ANTIHYPERCHOLESTEROLEMIC BIS-TRIFLUOROMETHYL-SUBSTITUTED IMIDAZOLINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-14 EP disclosed
WO-1991019476-A1 ANTIHYPERCHOLESTEROLEMIC BIS-TRIFLUOROMETHYL-SUBSTITUTED IMIDAZOLINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-26 WO disclosed
US-4043796-A N-METHYL-N-ALKYLTHIO-N*-PHENYL UREA, CEREALS ROUSSEL UCLAF (FR) 1977-08-23 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 (11 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 ALDH1A1 4653/4885RAB9A 546/4885KMT2A 2786/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 ALDH1A1 4653/4885RAB9A 546/4885KMT2A 2786/4885
US-20150166532-A1 HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES RPL17, RPL26, RPL35 ALDH1A1 3640/4885RAB9A 49/4885KMT2A 3728/4885
US-12029791-B2 Therapeutic conjugates CD47, CD44, EPCAM ALDH1A1 1307/4885RAB9A 1120/4885KMT2A 2318/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 4447/4885RAB9A 193/4885KMT2A 1969/4885
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 4447/4885RAB9A 193/4885KMT2A 1969/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 ALDH1A1 4653/4885RAB9A 546/4885KMT2A 2786/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 ALDH1A1 4653/4885RAB9A 546/4885KMT2A 2786/4885
US-20130022629-A1 Modulators of Immunoinhibitory Receptor PD-1, and Methods of Use Thereof CD274, PDCD1LG2, PDCD1 ALDH1A1 380/4885RAB9A 2271/4885KMT2A 3860/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 ALDH1A1 608/4885RAB9A 1337/4885KMT2A 914/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ALDH1A1 3750/4885RAB9A 1096/4885KMT2A 2921/4885

“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.