SCHEMBL12675083

SCHEMBL12675083

COc1ncc(F)cc1CNc1nc(Cl)c(C=O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
CYP2C9 P11712 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 3/20 0.41
CSF1R P07333 1/20 0.38
KIT P10721 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
AURKC Q9UQB9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PSMD14 O00487 1/20 0.38
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL12675291 0.83 MEN1 (0.40) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12675329 0.83 MAPT (0.44) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL12675088 0.80 MAPT (0.49) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL12675348 0.80 CYP2C9 (0.41) MEN1KMT2ACYP2C9ALDH1A1CYP3A4
SCHEMBL12675288 0.76 CYP3A4 (0.48) LMNACYP2C9ALDH1A1GLACYP3A4
SCHEMBL2599991 0.75 CYP3A4 (0.53) MEN1KMT2ACYP2C9ALDH1A1CYP3A4
SCHEMBL12675078 0.75 MEN1 (0.42) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL12675292 0.72 MEN1 (0.49) MAPTMEN1KMT2ALMNACYP2C9
SCHEMBL1891847 0.72 CYP2C9 (0.54) CYP2C9CYP3A4CSF1RKITCYP2C19
SCHEMBL12674815 0.71 CYP3A4 (0.42) MAPTMEN1KMT2ACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 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 (1 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-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MAPT 1276/4885MEN1 301/4885KMT2A 1521/4885

“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.