SCHEMBL14851141

SCHEMBL14851141

Cc1cc(N(C)C)cc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 7/20 0.54
▸ NOS2 P35228 6/20 0.54
▸ NOS1 P29475 5/20 0.54
▸ TSHR P16473 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TERT O14746 1/20 0.35
▸ APP P05067 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PIK3CG P48736 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL3912567 0.83 TSHR (0.46) NOS3NOS2NOS1TSHRAPAF1
Dimethylamine SCHEMBL9636536 0.76 TSHR (0.41) NOS3NOS2TSHRMEN1KMT2A
2-Aminopyridine SCHEMBL9488084 0.74 NOS3 (0.53) NOS3NOS2NOS1APAF1MEN1
SCHEMBL11481158 0.73 NOS3 (0.48) NOS3NOS2NOS1MEN1KMT2A
SCHEMBL27867708 0.72 NOS2 (0.44) NOS3NOS2NOS1DYRK1A
SCHEMBL94111 0.70 — —
SCHEMBL10399561 0.70 — —
SCHEMBL31324837 0.70 — —
SCHEMBL15980633 0.70 NOS3 (0.39) NOS3NOS2NOS1TSHRMEN1
SCHEMBL13901076 0.70 NOS3 (0.39) NOS3NOS2TSHRMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 — — EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 — — US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 — — US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 — — US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 — — US disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 — — 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 (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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK NOS3 1005/4885NOS2 771/4885NOS1 981/4885

“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.

Send feedback