SCHEMBL9538574

SCHEMBL9538574

CC1CCCc2cncnc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.34
HRH2 P25021 5/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LIMK1 P53667 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
IDH1 O75874 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
SCHEMBL9537257 0.95 CA1 (0.35) HRH3HRH2SIGMAR1IDH1
SCHEMBL10297726 0.89 IDH1 (0.32) IDH1
SCHEMBL12015843 0.78 SIGMAR1 (0.31) SIGMAR1
SCHEMBL13518618 0.77 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL10297582 0.77 CXCR4 (0.32) CHRNB2CHRNA4
SCHEMBL21344917 0.74 IDH1 (0.33) IDH1
SCHEMBL20851571 0.73 CXCR4 (0.37) HRH3HRH2
SCHEMBL12346329 0.73 CXCR4 (0.37) HRH3HRH2
SCHEMBL1688215 0.73 CXCR4 (0.37) HRH3HRH2
SCHEMBL12162482 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
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-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT HRH3 2028/4885HRH2 3675/4885CHRNB2 3564/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 HRH3 828/4885HRH2 1098/4885CHRNB2 1562/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK HRH3 2884/4885HRH2 2411/4885CHRNB2 3747/4885

“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.