SCHEMBL298252

SCHEMBL298252

N#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)C4CCC4)c3F)c12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.67
CYP2C9 P11712 7/20 0.67
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 6/20 0.46

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
SCHEMBL298759 0.97 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL297307 0.87 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19
SCHEMBL299419 0.87 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL298894 0.85 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL298515 0.84 CYP3A4 (0.68) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL297837 0.84 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL297892 0.84 CYP3A4 (0.66) CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL7874947 0.84 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19
SCHEMBL298781 0.83 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19
SCHEMBL297522 0.82 CYP3A4 (0.80) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (4 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP3A4 3611/4885CYP2C9 2176/4885CYP1A2 3692/4885
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4724/4885CYP1A2 4739/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4724/4885CYP1A2 4739/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4724/4885CYP1A2 4739/4885

“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.