SCHEMBL3938288

SCHEMBL3938288

CN(C)c1nc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.47
BRD4 O60885 1/20 0.47
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
KLF5 Q13887 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SYK P43405 1/20 0.43
KDM1A O60341 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL13793562 0.85 KMT2A (0.58) ABCG2BRD4KMT2ANPC1RAB9A
SCHEMBL3947644 0.82 TP53 (0.51) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL937937 0.79 NPY5R (0.60) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL3947626 0.77 CTNNB1 (0.48) BRD4KMT2ANPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL3947650 0.76 NPC1 (0.51) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL3114775 0.76 ABCG2 (0.58) ABCG2BRD4KMT2ANPC1RAB9A
SCHEMBL12430725 0.76 AURKA (0.75) AURKAAURKB
SCHEMBL7117730 0.76 AURKA (0.47) ABCG2BRD4KMT2ANPC1RAB9A
SCHEMBL3947645 0.75 MCHR1 (0.64) NPY5RADRA2AMCHR1
SCHEMBL3939753 0.75 MCHR1 (0.64) NPY5RADRA2AMCHR1

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R ABCG2 2208/4885BRD4 1133/4885KMT2A 633/4885

“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.