SCHEMBL6987048

SCHEMBL6987048

CC(=O)Nc1ccc(NC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CA12 O43570 1/20 0.59
BRD4 O60885 1/20 0.59
NR1I2 O75469 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MB P02144 1/20 0.59
CYP1A1 P04798 1/20 0.59
CA3 P07451 1/20 0.59
CYP3A4 P08684 1/20 0.59
RARG P13631 1/20 0.59
TSHR P16473 1/20 0.59
ALOX5AP P20292 1/20 0.59

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
SCHEMBL19392545 0.89 TSHR (0.63) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL9234888 0.89 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL9234891 0.88 PKM (0.68) KMT2AMEN1ALDH1A1MAPTCA12
SCHEMBL9231409 0.86 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL17745117 0.83 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL13817781 0.81 L3MBTL1 (0.79) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL10294089 0.80 RAB9A (0.64) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL17231645 0.79 GAA (0.59) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL19558152 0.79 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1

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-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 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 (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-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 SMN1; SMN2 4711/4885L3MBTL1 4693/4885HTT 1673/4885

“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.