SCHEMBL4599688

SCHEMBL4599688

N#Cc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.72
PDK2 Q15119 1/20 0.72
PDK3 Q15120 1/20 0.72
PDK4 Q16654 1/20 0.72
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.55
GRM4 Q14833 1/20 0.54
IDO1 P14902 1/20 0.53
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP7 P55210 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
P2RX1 P51575 1/20 0.50

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
SCHEMBL7477235 0.84 PDK1 (0.57) PDK1PDK2PDK3PDK4MAPT
SCHEMBL3441628 0.84 L3MBTL1 (0.59) PDK1PDK2PDK3PDK4MAPT
SCHEMBL14254891 0.84 PDK1 (0.72) PDK1PDK2PDK3PDK4MAPT
SCHEMBL2891161 0.83 MEN1 (0.57) PDK1PDK2PDK3PDK4MAPT
SCHEMBL31703171 0.83 PDK1 (0.70) PDK1PDK2PDK3PDK4MAPT
SCHEMBL20981664 0.82 L3MBTL1 (0.82) PDK1PDK2PDK3PDK4MAPT
SCHEMBL171221 0.81 MAPT (0.66) PDK1PDK2PDK3PDK4MAPT
SCHEMBL14515380 0.81 L3MBTL1 (0.60) PDK1PDK2PDK3PDK4MAPT
SCHEMBL29580531 0.81 MAPT (0.87) PDK1PDK2PDK3PDK4MAPT
SCHEMBL30606801 0.81 MAPT (0.87) PDK1PDK2PDK3PDK4MAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126094-A Synthesis method of 2, 5-diaminopyrrole compound 华南理工大学 2023-11-28 CN disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
US-20030166694-A1 Glycinamides MERCK PATENT GMBH (DE) 2003-09-04 US disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed
EP-0710241-A1 NOVEL SILYLATED BENZYLAMINE DERIVATIVES, SALTS THEREOF, METHODS OF MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PIERRE FABRE MEDICAMENT (FR) 1996-05-08 EP disclosed
WO-1995003313-A1 NOVEL SILYLATED BENZYLAMINE DERIVATIVES, SALTS THEREOF, METHODS OF MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PIERRE FABRE MEDICAMENT (FR) 1995-02-02 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 (4 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 PDK1 4091/4885PDK2 3811/4885PDK3 4042/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 PDK1 3410/4885PDK2 2691/4885PDK3 3232/4885
US-20030166694-A1 Glycinamides F11, SERPINC1, F13A1 PDK1 1074/4885PDK2 1462/4885PDK3 1962/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 PDK1 339/4885PDK2 690/4885PDK3 737/4885

“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.