SCHEMBL15129697

SCHEMBL15129697

O=S(=O)(Nc1cc2ocnc2c(F)c1Nc1ccc(I)cc1F)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
MAP2K1 Q02750 13/20 0.36
MAP2K2 P36507 7/20 0.36
KIT P10721 1/20 0.35
BRAF P15056 4/20 0.34
CHEK1 O14757 1/20 0.33
MAPK10 P53779 1/20 0.33
PRKAG1 P54619 1/20 0.33
ADCK1 Q86TW2 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
AURKA O14965 1/20 0.33
TNFRSF1A P19438 1/20 0.33
KDR P35968 1/20 0.33
MAP3K9 P80192 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL20034585 0.88 MRGPRX1 (0.39) KITBRAF
SCHEMBL1992129 0.83 IDO1 (0.38) IDO1MAP2K1MAP2K2KITBRAF
SCHEMBL15129483 0.81 BRAF (0.35) MAP2K1MAP2K2KITBRAF
SCHEMBL15129534 0.80 MAP2K1 (0.36) IDO1MAP2K1MAP2K2KITBRAF
SCHEMBL15129651 0.80 MAP2K1 (0.36) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL391574 0.80 MAP2K1 (0.53) MAP2K1MAP2K2BRAFCA2
SCHEMBL1343990 0.80 MAP2K1 (0.46) MAP2K1MAP2K2BRAF
SCHEMBL15129461 0.79 MAP2K1 (0.40) IDO1MAP2K1MAP2K2BRAFCHEK1
SCHEMBL1343469 0.79 MAP2K1 (0.41) IDO1MAP2K1MAP2K2KITBRAF
SCHEMBL1341284 0.79 IDO1 (0.38) IDO1MAP2K1MAP2K2KITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US claimed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP claimed
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2016-08-18 US claimed
US-9290468-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2016-03-22 US claimed
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2014-12-18 US claimed
EP-2804855-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF Tianjin Binjiang Pharma, Inc. (CN) 2014-11-26 EP claimed
WO-2013107283-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2013-07-25 WO claimed
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US disclosed
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US disclosed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2016-08-18 US disclosed
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2016-08-18 US disclosed
US-9290468-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2016-03-22 US disclosed
US-9290468-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2016-03-22 US disclosed
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2014-12-18 US disclosed
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2014-12-18 US disclosed
WO-2013107283-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2013-07-25 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 (2 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-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF CDK2, CDK1, MAP3K1 IDO1 2570/4885MAP2K1 436/4885MAP2K2 247/4885
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF CDK2, MAPK1, BDKRB1 IDO1 2394/4885MAP2K1 393/4885MAP2K2 233/4885

“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.