SCHEMBL2973238

SCHEMBL2973238

Oc1cccc(-c2cnc3[nH][c]nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.46
HSD17B2 P37059 7/20 0.46
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
FYN P06241 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
METAP2 P50579 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ABL1 P00519 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL2967253 0.83 RIPK1 (0.50) DYRK1ADYRK1BRIPK1
SCHEMBL2974783 0.83 CDK8 (0.47) DYRK1ADYRK1BCDK1ABL1FLT3
SCHEMBL2965272 0.82 GRIN1 (0.42) METAP2MAP4K4
SCHEMBL2974909 0.82 BIRC5 (0.50) METAP2
SCHEMBL2979465 0.78 CYP2A6 (0.49) DYRK1ADYRK1BCYP3A4
SCHEMBL2980500 0.75 MAP3K11 (0.41) DYRK1ADYRK1BCCNB2CDK1CCNB1
SCHEMBL2982654 0.75 PDGFRB (0.43)
SCHEMBL2979435 0.74 MAP4K4 (0.39) CYP3A4CYP2C9CCNB2CDK1CCNB1
SCHEMBL2981890 0.74 NPC1 (0.38) DYRK1ADYRK1BCCNB2CDK1CCNB1
SCHEMBL2978668 0.74 CLK1 (0.43) DYRK1ADYRK1BCYP3A4FYNRAF1

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
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-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine ALTANA PHARMA AG 2008-07-24 US disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 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 (3 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-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 HSD17B1 2973/4885HSD17B2 3475/4885DYRK1A 3191/4885
US-20100280002-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 HSD17B1 2973/4885HSD17B2 3475/4885DYRK1A 3191/4885
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine NOS2, NOS1, NOS3 HSD17B1 868/4885HSD17B2 1149/4885DYRK1A 3964/4885

“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.