SCHEMBL5575757

SCHEMBL5575757

CC(C)c1cc(NC(=O)Nc2cc(-c3ccncc3)cs2)on1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ROCK1 Q13464 4/20 0.42
CYP3A4 P08684 2/20 0.42
PRKACA P17612 1/20 0.42
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAF1 P04049 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK13 O15264 1/20 0.37
BRAF P15056 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2C P28335 2/20 0.36
ROCK2 O75116 4/20 0.35
CYP3A5 P20815 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL667590 0.83 RAF1 (0.58) MAPK14ALDH1A1ROCK1CYP3A4PRKACA
SCHEMBL668123 0.80 MAPK14 (0.47) MAPK14ALDH1A1LMNAROCK1SMN1; SMN2
SCHEMBL5576204 0.79 MAPK14 (0.53) MAPK14ALDH1A1ROCK1CYP3A4PRKACA
SCHEMBL5575753 0.75 MAPK14 (0.49) MAPK14ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL668744 0.74 RAF1 (0.59) MAPK14RAF1MAPK13NPC1RAB9A
SCHEMBL6049551 0.73 KMT2A (0.47) ALDH1A1LMNAROCK1CYP3A4PRKACA
SCHEMBL937763 0.73 RAF1 (0.70) MAPK14ALDH1A1LMNARAF1MAPK13
SCHEMBL668121 0.72 MAPK14 (0.51) MAPK14ALDH1A1LMNACYP3A4CNR1
SCHEMBL27607440 0.72 MAPK14 (0.43) MAPK14ALDH1A1LMNASMN1; SMN2RAF1
SCHEMBL668112 0.69 MAPK14 (0.50) MAPK14ROCK1CYP3A4PRKACACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP claimed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP claimed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP claimed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MAPK14 127/4885ALDH1A1 2759/4885LMNA 3637/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MAPK14 127/4885ALDH1A1 2759/4885LMNA 3637/4885

“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.