SCHEMBL9537354

SCHEMBL9537354

CC1CCCc2ncncc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP19A1 P11511 3/20 0.32
LIMK1 P53667 1/20 0.32
TBXAS1 P24557 2/20 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
SCHEMBL14425987 1.00 NTRK1 (0.33) NTRK1CHRNB2CHRNA4CYP19A1LIMK1
SCHEMBL13983944 1.00 NTRK1 (0.33) NTRK1CHRNB2CHRNA4CYP19A1LIMK1
SCHEMBL10098870 0.89 NTRK1 (0.34) NTRK1
SCHEMBL10297757 0.89 NTRK1 (0.34) NTRK1
SCHEMBL2669662 0.78 CYP11B1 (0.39) CYP19A1TBXAS1
SCHEMBL29649344 0.78 CYP11B1 (0.38) NTRK1CYP19A1
SCHEMBL12163033 0.78 CYP19A1 (0.32) CYP19A1TBXAS1
SCHEMBL10297548 0.77 NTRK1 (0.34) NTRK1CHRNB2CHRNA4CYP19A1
SCHEMBL14425783 0.77 NTRK1 (0.34) NTRK1CHRNB2CHRNA4CYP19A1
SCHEMBL21344937 0.74 NTRK1 (0.33) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079890-B2 Intermediates for the preparation of pyridin-2-yl-amino-1,2,4-thiadiazole derivatives ARRAY BIOPHARMA INC. (US) 2015-07-14 US disclosed
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES ARRAY BIOPHARMA, INC. 2015-02-26 US disclosed
US-8853409-B2 Pyridin-2yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA INC. (US) 2014-10-07 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 US disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US disclosed
EP-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP 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 (4 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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 NTRK1 1822/4885CHRNB2 2127/4885CHRNA4 2380/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK NTRK1 2388/4885CHRNB2 3742/4885CHRNA4 3318/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 NTRK1 1419/4885CHRNB2 1562/4885CHRNA4 1626/4885
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 NTRK1 374/4885CHRNB2 4057/4885CHRNA4 4354/4885

“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.