SCHEMBL954716

SCHEMBL954716

Cc1nc2ccc(Br)cn2c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.57
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
G6PD P11413 1/20 0.47
GFER P55789 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
SCHEMBL4256814 0.87 KMT2A (0.58) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL954299 0.86 EPHB3 (0.56) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL12850522 0.86 EPHB3 (0.60) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL18766608 0.84 EPHB3 (0.58) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL2931119 0.83 ALDH1A1 (0.54) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL6223693 0.81 MAPK1 (0.63) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL12928390 0.81 ALDH1A1 (0.47) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL21819132 0.81 ALDH1A1 (0.47) EPHB3ALDH1A1POLBKDM4ELMNA
SCHEMBL3974420 0.81 ALDH1A1 (0.69) EPHB3ALDH1A1POLBGAAKMT2A
SCHEMBL29690171 0.81 EPHB3 (0.51) EPHB3ALDH1A1POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
EP-2678016-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-08-10 EP disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012116237-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2012-08-30 WO disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB EPHB3 3124/4885ALDH1A1 2379/4885POLB 2432/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EPHB3 3124/4885ALDH1A1 2379/4885POLB 2432/4885
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 EPHB3 3165/4885ALDH1A1 4335/4885POLB 3205/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 EPHB3 4319/4885ALDH1A1 1687/4885POLB 4355/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB EPHB3 3124/4885ALDH1A1 2379/4885POLB 2432/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 EPHB3 2375/4885ALDH1A1 728/4885POLB 2653/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR EPHB3 3992/4885ALDH1A1 4784/4885POLB 3320/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 EPHB3 3021/4885ALDH1A1 4563/4885POLB 2762/4885

“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.