Sugi Predict

Sugi Predict / Compounds / SCHEMBL4329468

SCHEMBL4329468

SCHEMBL4329468

CC(C)c1cc(N=C=S)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ P2RY6 Q15077 2/20 0.37
▸ MIF P14174 1/20 0.36
▸ PNMT P11086 1/20 0.35
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ LTA P01374 2/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ RAD51 Q06609 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ RAD1 O60671 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33

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
SCHEMBL18245192 0.83 P2RY6 (0.41) TDP1P2RY6MIFPNMTGABRA1
SCHEMBL330976 0.80 P2RY6 (0.38) TDP1P2RY6MIFPNMTGABRA1
SCHEMBL4330324 0.79 P2RY6 (0.37) TDP1P2RY6MIFPNMTGABRA1
SCHEMBL1052023 0.77 TDP1 (0.63) TDP1MAPK1P2RY6MIFPNMT
SCHEMBL29976261 0.77 TDP1 (0.63) TDP1MAPK1P2RY6MIFPNMT
SCHEMBL28964040 0.76 TDP1 (0.37) TDP1MAPK1P2RY6MIFPNMT
SCHEMBL14102094 0.76 GABRA1 (0.52) P2RY6MIFGABRA1GABRB1CYP3A4
SCHEMBL11574824 0.76 TDP1 (0.42) TDP1MAPK1P2RY6MIFPNMT
SCHEMBL11415576 0.73 TDP1 (0.44) TDP1MAPK1P2RY6MIFPNMT
SCHEMBL1022395 0.72 MIF (0.50) P2RY6MIFGABRA1ALDH1A1MAPT

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-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 — — US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 — — US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 — — EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 — — US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 — — US disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 — — 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 (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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF TDP1 996/4885MAPK1 100/4885P2RY6 4524/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF TDP1 996/4885MAPK1 100/4885P2RY6 4524/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF TDP1 996/4885MAPK1 100/4885P2RY6 4524/4885

“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.