SCHEMBL2669683

SCHEMBL2669683

CC(C)Sc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
P2RX7 Q99572 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MPO P05164 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC16A1 P53985 1/20 0.34
NOTUM Q6P988 1/20 0.34
LRRK2 Q5S007 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
IDO1 P14902 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
SCHEMBL30548758 0.77 MAP2K7 (0.41) ALDH1A1POLBTDP1L3MBTL1MEN1
SCHEMBL514678 0.76 STK10 (0.44) ARP2RX7DDB1CRBNALDH1A1
SCHEMBL29484715 0.75 NOTUM (0.45) ARDDB1CRBNALDH1A1POLB
SCHEMBL944340 0.75 ALDH1A1 (0.41) ARDDB1CRBNALDH1A1POLB
SCHEMBL8863558 0.75 NOTUM (0.45) ARDDB1CRBNALDH1A1POLB
SCHEMBL31560015 0.75 AR (0.41) ARP2RX7CCR2
SCHEMBL11428319 0.73 GAA (0.50) ARCCR2ALDH1A1MPOPOLB
SCHEMBL19375672 0.73 GAA (0.46) ARCCR2ALDH1A1MPOPOLB
SCHEMBL4654999 0.73 MAP2K7 (0.36) POLBL3MBTL1
SCHEMBL13855724 0.72 AR (0.40) ARDDB1CRBNALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815813-B2 1-(triazin-3-yl/pyridazin-3-yl)-piper(-azine)idine derivatives and compositions therefor for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2017-11-14 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-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 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-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-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
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
WO-2008118718-A2 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-10-02 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 (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-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK AR 4486/4885P2RX7 2358/4885DDB1 2989/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 AR 4485/4885P2RX7 2351/4885DDB1 3315/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 AR 2776/4885P2RX7 881/4885DDB1 3127/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK AR 4384/4885P2RX7 2537/4885DDB1 3239/4885

“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.