SCHEMBL161785

SCHEMBL161785

CC(C)(C)NC(=O)c1ccc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL790538 0.81 LMNA (0.53) KDM4EATMPOLBLMNAKCNMA1
Hydrochloric Acid SCHEMBL8592377 0.79 KDM4E (0.41) KDM4EATMPOLBNPC1RAB9A
SCHEMBL888653 0.78
SCHEMBL28029054 0.76
SCHEMBL5204640 0.75
SCHEMBL14591099 0.75 KDM4E (0.55) KDM4EPOLBLMNA
SCHEMBL10792611 0.75 FPR2 (0.47) KDM4ELMNA
SCHEMBL20848463 0.74 MMP1 (0.47) KDM4EPOLB
SCHEMBL3699321 0.74
SCHEMBL2569547 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230095934-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN KURA ONCOLOGY, INC. 2023-03-30 US disclosed
US-20230026872-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES AND EWING'S SARCOMA KURA ONCOLOGY, INC. 2023-01-26 US disclosed
US-20210107917-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2021-04-15 US disclosed
US-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2020-08-25 US disclosed
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2019-03-28 US disclosed
US-8633207-B2 Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2014-01-21 US disclosed
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-01 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
WO-2003035616-A3 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-10-23 WO disclosed
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 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 (10 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-20120053174-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, TYK2 KDM4E 1840/4885ATM 328/4885POLB 1797/4885
US-20230026872-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES AND EWING'S SARCOMA MEN1, DIAPH1, EWSR1 KDM4E 1510/4885ATM 415/4885POLB 2777/4885
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 KDM4E 996/4885ATM 293/4885POLB 2457/4885
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 KDM4E 1605/4885ATM 422/4885POLB 1488/4885
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 KDM4E 1365/4885ATM 294/4885POLB 2128/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN KDM4E 765/4885ATM 3973/4885POLB 3340/4885
US-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 KDM4E 82/4885ATM 1718/4885POLB 2904/4885
US-20230095934-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH INHIBITORS OF MENIN MEN1, MCL1, XPOT KDM4E 1565/4885ATM 210/4885POLB 2779/4885
US-20210107917-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, BMI1 KDM4E 179/4885ATM 1806/4885POLB 3023/4885
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, BMI1 KDM4E 179/4885ATM 1806/4885POLB 3023/4885

“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.