SCHEMBL1883582

SCHEMBL1883582

Cc1cnc2[nH]cc(Cc3cnc(NCc4cnccc4C(F)(F)F)s3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.66
CYP2C19 P33261 6/20 0.54
CYP2C9 P11712 9/20 0.44
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
AURKC Q9UQB9 2/20 0.41
CSF1R P07333 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
SCHEMBL1884922 0.83 CYP3A4 (0.70) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1889117 0.81 CYP2C19 (0.70) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1889803 0.81 CYP3A4 (0.80) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1881856 0.80 CYP3A4 (0.66) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL15456514 0.80 CYP3A4 (0.52) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1884269 0.80 CYP3A4 (0.85) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1887823 0.79 CYP3A4 (1.00) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1889831 0.79 CYP2C9 (0.70) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL30695618 0.79 CYP3A4 (1.00) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1891881 0.79 CYP3A4 (0.82) CYP3A4CYP2C19CYP2C9KITKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP disclosed
CN-106220623-A Compounds and methods for and indication thereof for kinases regulation 普莱希科公司 2016-12-14 CN disclosed
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-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
EP-2827904-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-01-28 EP 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
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2013142427-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2013-09-26 WO 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 3717/4885CYP2C19 4018/4885CYP2C9 3884/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C19 4018/4885CYP2C9 3884/4885

“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.