SCHEMBL1428089

SCHEMBL1428089

O=S(=O)(Oc1cc(Cl)c(CN2CCCCC2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
SOS1 Q07889 2/20 0.40
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
DRD4 P21917 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 4/20 0.39
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL1427335 0.89 POLB (0.40) SOS1DRD2DRD1DRD4DRD5
SCHEMBL1427424 0.81 POLB (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2299173 0.78 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1427495 0.77 POLB (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1750611 0.77 AOC2 (0.37)
SCHEMBL16215674 0.77 HRH3 (0.38) HRH3SOS1POLBKDM4EALDH1A1
SCHEMBL4368951 0.76 GRIN1 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2065603 0.73 DRD2 (0.35) SOS1DRD2DRD1DRD4DRD5
SCHEMBL2065606 0.73 DRD2 (0.35) SOS1DRD2DRD1DRD4DRD5
SCHEMBL6139646 0.73 KDM4E (0.41) HRH3SOS1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 US disclosed
EP-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP disclosed
EP-2706059-A1 Diazacarbazoles and methods of use Genentech, Inc. (US) 2014-03-12 EP disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
EP-2300475-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-03-30 EP disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 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 (3 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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B HRH3 1289/4885SOS1 875/4885DRD2 4839/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HRH3 690/4885SOS1 3752/4885DRD2 4460/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HRH3 690/4885SOS1 3752/4885DRD2 4460/4885

“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.