SCHEMBL13234609

SCHEMBL13234609

CC(C)(C)c1csc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.71
MEN1 O00255 8/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
MAPK1 P28482 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.71
POLB P06746 1/20 0.71
MAPK14 Q16539 2/20 0.59
BRAF P15056 1/20 0.57
GBA1 P04062 1/20 0.56
NOX1 Q9Y5S8 2/20 0.56
FLT3 P36888 1/20 0.55
PABPC1 P11940 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL2945639 0.86 GBA1 (0.65) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL10078887 0.84 MEN1 (1.00) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL14014120 0.79 RAB9A (0.80) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL10078938 0.78 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL208697 0.78 MEN1 (0.72) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL12585091 0.78 NOX1 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21295527 0.77 MEN1 (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL77442 0.77 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL22103784 0.77 RAB9A (0.76) KMT2AMEN1NPC1RAB9AMAPK1
SCHEMBL13234618 0.77 MAPK14 (0.94) KMT2AMEN1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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 (1 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR KMT2A 285/4885MEN1 4362/4885NPC1 1569/4885

“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.