SCHEMBL8364722

SCHEMBL8364722

Cc1ccc(SCc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
POLB P06746 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
HPGD P15428 2/20 0.62
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.49
METAP2 P50579 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MIF P14174 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL8736780 0.92 SMN1; SMN2 (0.58) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL23521159 0.85 CYP1A2 (0.61) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL11601101 0.85 ALDH1A1 (0.56) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL14594939 0.81 CYP1A2 (0.68) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL1394757 0.80 MAOB (0.56) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL5654174 0.80 ALDH1A1 (0.61) SMN1; SMN2POLBMEN1KMT2ACYP1A2
SCHEMBL9018848 0.79 CYP1A2 (0.66) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3380070 0.79 MAOA (0.58) SMN1; SMN2POLBMEN1KMT2AHPGD
SCHEMBL8362995 0.78 LMNA (0.62) SMN1; SMN2POLBCYP1A2CYP3A4CYP2C9
SCHEMBL19631323 0.78 MEN1 (0.55) SMN1; SMN2POLBMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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 (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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SMN1; SMN2 3445/4885POLB 2292/4885MEN1 3545/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 SMN1; SMN2 3445/4885POLB 2292/4885MEN1 3545/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF SMN1; SMN2 4560/4885POLB 2254/4885MEN1 2248/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF SMN1; SMN2 4560/4885POLB 2254/4885MEN1 2248/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 SMN1; SMN2 3922/4885POLB 2606/4885MEN1 3509/4885

“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.