SCHEMBL16266409

SCHEMBL16266409

Nc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALOX5 P09917 1/20 0.36
NR1I2 O75469 5/20 0.35
TGFBR1 P36897 3/20 0.35
PLK4 O00444 1/20 0.35
EPHB6 O15197 1/20 0.35
RIPK2 O43353 1/20 0.35
JAK2 O60674 1/20 0.35
ULK1 O75385 1/20 0.35
ERN1 O75460 1/20 0.35
PRKD3 O94806 1/20 0.35
ABL1 P00519 1/20 0.35
KRAS P01116 1/20 0.35
RAF1 P04049 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
YES1 P07947 1/20 0.35

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
SCHEMBL22145963 0.89 AURKA (0.46) BRAFHDAC1HDAC6NR1I2TGFBR1
SCHEMBL22145980 0.87 NQO2 (0.37) BRAFHDAC1HDAC6NR1I2TGFBR1
SCHEMBL22146277 0.85 BRAF (0.39) BRAFHDAC1HDAC6ALOX5NR1I2
SCHEMBL31111620 0.84 BRAF (0.38) BRAFNR1I2TGFBR1PLK4EPHB6
SCHEMBL31111557 0.83 CDK2 (0.41) BRAFNR1I2TGFBR1PLK4EPHB6
SCHEMBL1126914 0.80 BRAF (0.46) BRAFNR1I2TGFBR1PLK4EPHB6
SCHEMBL1127106 0.80 BRAF (0.54) BRAFHDAC1HDAC6NR1I2TGFBR1
SCHEMBL31112031 0.80 BRAF (0.54) BRAFHDAC1HDAC6NR1I2TGFBR1
SCHEMBL31111793 0.78 KMO (0.33) BRAFNR1I2TGFBR1PLK4EPHB6
SCHEMBL22146036 0.78 BRAF (0.65) BRAFHDAC1HDAC6NR1I2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
EP-3004060-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-04-13 EP disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
WO-2014194127-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-12-04 WO disclosed
WO-2014194127-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-12-04 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 (3 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-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885HDAC1 846/4885HDAC6 671/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885HDAC1 846/4885HDAC6 671/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 46/4885HDAC1 846/4885HDAC6 671/4885

“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.