SCHEMBL1100862

SCHEMBL1100862

Cc1cc(N)cnc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
UHRF1 Q96T88 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 1/20 0.34
NUDT1 P36639 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.30
CRHR1 P34998 1/20 0.30
APAF1 O14727 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10611794 0.80 CHEK1 (0.33) NOS1NOS3NOS2UHRF1ALDH1A1
SCHEMBL15545613 0.77 GABRP (0.39) NOS1NOS3NOS2ALDH1A1KDM4E
SCHEMBL15061923 0.77 NOS3 (0.54) NOS1NOS3NOS2ALDH1A1PIK3CA
SCHEMBL13681703 0.77 CYP3A4 (0.36) ALDH1A1CHEK1AURKAKDM4EPOLB
SCHEMBL1100888 0.77 ALDH1A1 (0.37) NOS1NOS3NOS2ALDH1A1CHEK1
SCHEMBL13038422 0.77 GAA (0.36) NOS1NOS3NOS2UHRF1ALDH1A1
SCHEMBL670767 0.77
SCHEMBL29765539 0.77
Hydrochloric Acid SCHEMBL4163676 0.75 ALDH1A1 (0.36) ALDH1A1CHEK1AURKA
SCHEMBL15951408 0.74 MAP4K4 (0.36) NOS1NOS3NOS2ALDH1A1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
CN-102448939-A Nicotinamide derivatives, their preparation and their therapeutic use as anticancer agents SANOFI AVENTIS 2012-05-09 CN disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
CN-101495469-A Derivatives of N- (amino-heteroaryl) -1H-indole-2-carboxamides as antagonists of TRPV1 or VR1 receptors SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
EP-2046775-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-04-15 EP disclosed
WO-2008012418-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-01-31 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 (9 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS1 1289/4885NOS3 1955/4885NOS2 1343/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS1 2068/4885NOS3 1854/4885NOS2 2534/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS1 1289/4885NOS3 1955/4885NOS2 1343/4885
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 NOS1 1468/4885NOS3 2112/4885NOS2 2063/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOS1 1266/4885NOS3 1832/4885NOS2 1280/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 NOS1 1902/4885NOS3 1169/4885NOS2 752/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOS1 1266/4885NOS3 1832/4885NOS2 1280/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 NOS1 1902/4885NOS3 1169/4885NOS2 752/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 NOS1 302/4885NOS3 95/4885NOS2 118/4885

“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.