SCHEMBL1719786

SCHEMBL1719786

CC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
NPC1 O15118 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
MAPT P10636 5/20 1.00
TAAR1 Q96RJ0 2/20 1.00
KMT2A Q03164 8/20 0.73
MEN1 O00255 5/20 0.73
TP53 P04637 2/20 0.72
ALDH1A1 P00352 1/20 0.72
HTT P42858 1/20 0.70
NLRP1 Q9C000 1/20 0.70
EPHX1 P07099 1/20 0.68
TSHR P16473 1/20 0.68
EPHX2 P34913 1/20 0.68
CDK9 P50750 1/20 0.68
CLK4 Q9HAZ1 1/20 0.68
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SIRT1 Q96EB6 1/20 0.63
POLB P06746 2/20 0.63

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
SCHEMBL23069083 0.92 RAB9A (0.86) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL3633396 0.92 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL11059378 0.85 SMN1; SMN2 (0.94) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL4918597 0.85 KMT2A (1.00) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL4110351 0.84 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL1128154 0.84 KMT2A (0.78) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL9478869 0.83 MAPT (0.71) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL23069090 0.83 NPC1 (0.71) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL19501793 0.83 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPTTAAR1
SCHEMBL1019968 0.83 EPHX2 (0.74) RAB9ANPC1SMN1; SMN2MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 EP disclosed
EP-1891072-B1 Substituted 7,8-Dihydro-1H-pyrimido[4,5-b]diazepin-4-amines as kinase inhibitors ABBOTT LAB (US) 2012-01-11 EP disclosed
US-20110105476-A1 SUBSTITUTED 7,8-DIHYDRO-1HPYRIMIDO[4,5-B]DIAZEPIN-4-AMINES ARE NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-05-05 US disclosed
US-7795248-B2 Substituted 7,8-dihydro-1H-pyrimido[4,5-B][1,4]diazepin-4-amines are novel kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2010-09-14 US disclosed
EP-1891072-A2 SUBSTITUTED 7, 8-DIHYDRO-1H-PYRIMIDO[4,5-B][1,4] DIAZEPIN-4-AMINES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-02-27 EP disclosed
US-20060270663-A1 Substituted 7,8-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-4-amines are novel kinase inhibitors ABBVIE INC. 2006-11-30 US disclosed
WO-2006124813-A2 SUBSTITUTED 7, 8-DIHYDRO-1H-PYRIMIDO [4,5-B] [1,4] DIAZEPIN-4-AMINES AS?KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-11-23 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-20060270663-A1 Substituted 7,8-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-4-amines are novel kinase inhibitors ABL1, MAP4K2, MAP3K7 RAB9A 1573/4885NPC1 3180/4885SMN1; SMN2 4443/4885
US-20110105476-A1 SUBSTITUTED 7,8-DIHYDRO-1HPYRIMIDO[4,5-B]DIAZEPIN-4-AMINES ARE NOVEL KINASE INHIBITORS ABL1, CDK5, CDK7 RAB9A 1578/4885NPC1 3348/4885SMN1; SMN2 4200/4885

“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.