SCHEMBL1882008

SCHEMBL1882008

Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(N5CCCC5)n4)nc3)c2c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.85
CYP2C9 P11712 9/20 0.73
CYP2C19 P33261 4/20 0.73
TRPV3 Q8NET8 1/20 0.38

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
SCHEMBL30695626 1.00 CYP3A4 (0.85) CYP3A4CYP2C9CYP2C19TRPV3
SCHEMBL1889891 0.92 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19
SCHEMBL2112873 0.85 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19TRPV3
SCHEMBL1886303 0.85 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19
SCHEMBL15456394 0.82 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19
SCHEMBL1883624 0.80 CYP3A4 (0.76) CYP3A4CYP2C9CYP2C19
SCHEMBL1888630 0.78 CYP2C9 (0.64) CYP3A4CYP2C9CYP2C19
SCHEMBL2113695 0.78 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19
SCHEMBL18263904 0.76 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19
SCHEMBL1882714 0.76 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19

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
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US claimed
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP disclosed
US-10123998-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-11-13 US disclosed
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2018-03-01 US disclosed
US-9730918-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-08-15 US disclosed
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2016-08-25 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
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
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 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 (5 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-10123998-B2 Kinase modulation, and indications therefor FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C9 4286/4885CYP2C19 3521/4885
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CYP2C19 4018/4885
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C9 4286/4885CYP2C19 3521/4885
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C9 4286/4885CYP2C19 3521/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CYP2C19 4018/4885

“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.