SCHEMBL12640332

SCHEMBL12640332

COc1ncc(F)cc1CNc1ncc(Br)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
CYP2C9 P11712 4/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 4/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
AURKC Q9UQB9 1/20 0.42
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
PKM P14618 2/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL12674814 0.89 MAPT (0.46) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12640366 0.83 CYP3A4 (0.44) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12640329 0.80 MAPT (0.50) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12640333 0.80 CYP3A4 (0.46) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12674815 0.74 CYP3A4 (0.42) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12640336 0.74 ALDH1A1 (0.42) CYP3A4CYP2C9ALDH1A1MAPTNPC1
SCHEMBL12674825 0.73 KMT2A (0.44) CYP3A4CYP2C9ALDH1A1CYP2C19CSF1R
SCHEMBL18588921 0.73 CYP2C9 (0.49) CYP3A4CYP2C9ALDH1A1CYP2C19CSF1R
SCHEMBL1887139 0.73 CYP3A4 (0.79) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL2599952 0.72 CYP3A4 (0.58) CYP3A4CYP2C9NPC1GAARAB9A

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 6 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
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885ALDH1A1 2981/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885ALDH1A1 2981/4885

“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.