SCHEMBL1490708

SCHEMBL1490708

CN1Cc2ccccc2[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 6/20 0.39
BCHE P06276 3/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSD P07339 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL904823 0.78 SIGMAR1 (0.42) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL4881888 0.73 SIGMAR1 (0.44) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL3625919 0.72 NPC1 (0.37) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL904938 0.70 NPC1 (0.55) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL6801284 0.68 SIGMAR1 (0.44) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL7017982 0.67 MAOA (0.53) MAOAMAOBNPC1HPGDRAB9A
SCHEMBL18895799 0.67 SIGMAR1 (0.61) SIGMAR1ACHEBCHEMEN1USP2
SCHEMBL14608794 0.67 SIGMAR1 (0.43) NPC1HPGDRAB9ASMN1; SMN2SIGMAR1
SCHEMBL29710439 0.65 TRPA1 (0.38) MAOAMAOBHPGDSMN1; SMN2MEN1
SCHEMBL11441366 0.65 TRPA1 (0.38) MAOAMAOBHPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
CN-101827849-B Novel compounds of reverse turn mimetics and uses thereof CHOONGWAE PHARMA CORP 2013-07-24 CN claimed
EP-1807416-B1 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors Bayer Pharma AG (DE) 2012-08-29 EP claimed
US-7906533-B2 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-03-15 US claimed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
US-7572794-B2 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER SCHERING PHARMA AG (DE) 2009-08-11 US claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
CN-101056870-A Nicotinamide pyridinureas as vascular endothelial growth factor (vegf) receptor kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2007-10-17 CN claimed
US-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-23 US claimed
EP-1657241-A1 Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors Schering Aktiengesellschaft (DE) 2006-05-17 EP claimed
WO-2006048248-A2 NOVEL ANTHRANILAMIDE PYRIDINUREAS AS VEGF RECEPTOR KINASE IMHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
WO-2006048249-A1 NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
EP-1655297-A1 Nicotinamide pyridinureas as vascular endothelial growth factor (VEGF) receptor kinase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-10 EP claimed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US claimed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP claimed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US claimed
EP-1037893-A1 USE OF NITROETHANE DERIVATIVES AS MICROBICIDES AND SPECIFIC NITROETHANE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-09-27 EP claimed
WO-1999031108-A1 USE OF NITROETHANE DERIVATIVES AS MICROBICIDES AND SPECIFIC NITROETHANE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 WO claimed

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-20060264425-A1 4-hydroxy-4-methyl-piperidine-1 -carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide; 2,6-dimethyl-morpholine-4-carboxylic acid (4-{[2-(1-methyl-1H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide KDR, FLT4, FLT1 MAOA 1598/4885MAOB 1919/4885NPC1 4411/4885

“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.