SCHEMBL8737448

SCHEMBL8737448

Cc1ccc(Sc2cnccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 2/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGIR P43119 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL20380348 0.81 CYP3A4 (0.48) KDM4EL3MBTL1TSHR
SCHEMBL15516303 0.76 LMNA (0.45) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL13811390 0.74 SMN1; SMN2 (0.46) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4439026 0.74 L3MBTL1 (0.67) HAO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25267652 0.74 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL8865737 0.74 MAPT (0.49) SMN1; SMN2RAB9ALMNAALDH1A1KDM4E
SCHEMBL11736511 0.73 ALOX5AP (0.38) HAO1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL8361638 0.71 LMNA (0.45) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL257957 0.70 DDAH1 (0.70) HAO1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30556608 0.69 HSP90AA1 (0.45) LMNAKDM4ETSHR

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 8 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-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

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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 HAO1 2019/4885SMN1; SMN2 3445/4885NPC1 3710/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 HAO1 2019/4885SMN1; SMN2 3445/4885NPC1 3710/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HAO1 3065/4885SMN1; SMN2 4560/4885NPC1 3232/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF HAO1 3065/4885SMN1; SMN2 4560/4885NPC1 3232/4885

“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.