SCHEMBL50044

SCHEMBL50044

CC(=O)Nc1cc(C)cc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.60
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GBA1 P04062 1/20 0.55
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ADORA3 P0DMS8 2/20 0.50
PIK3CG P48736 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SORT1 Q99523 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL18658437 0.90 ADORA3 (0.54) LCKMAPK1LMNAADORA3PIK3CG
SCHEMBL4504096 0.86 LCK (0.67) LCKMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL30711612 0.86 LCK (0.67) LCKMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL6508707 0.82 KMT2A (0.60) LCKMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL22281653 0.82 MAPK1 (0.63) LCKMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL2972209 0.81 ADORA3 (0.47) LCKRAB9AALDH1A1ADORA3PIK3CG
SCHEMBL23998421 0.81 PIK3CG (0.47) LCKSMN1; SMN2ALDH1A1MAPTADORA3
SCHEMBL16913955 0.81 ADORA3 (0.50) LCKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29383895 0.81 PIK3CG (0.47) LCKSMN1; SMN2ALDH1A1MAPTADORA3
SCHEMBL14097068 0.81 LCK (0.66) LCKMAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-11-04 US disclosed
US-7781453-B2 Aminopyridine-derivatives ALTANA PHARMA AG (DE) 2010-08-24 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 WO disclosed
EP-0530524-B1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI KAGAKU KK (JP) 2003-02-05 EP disclosed
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 US disclosed
US-5290943-A Halogenation of pyridine compound ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1994-03-01 US disclosed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 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 (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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B LCK 283/4885MAPK1 66/4885SMN1; SMN2 2920/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 LCK 1825/4885MAPK1 774/4885SMN1; SMN2 4415/4885

“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.