SCHEMBL8941812

SCHEMBL8941812

Clc1ccc(CNc2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.53
DYRK1A Q13627 5/20 0.53
CYP3A4 P08684 6/20 0.48
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GBA1 P04062 1/20 0.48
JAK2 O60674 2/20 0.46
CLK2 P49760 2/20 0.46
CLK1 P49759 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CYP2C9 P11712 2/20 0.46
LCK P06239 2/20 0.44
CSF1R P07333 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
NTRK3 Q16288 2/20 0.44

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
SCHEMBL14712339 0.85 JAK2 (0.49) CLK4CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL1666746 0.82 CCNT1 (0.49) CLK4DYRK1ACYP3A4CYP2C19CYP1A2
SCHEMBL12657801 0.82 CLK4 (0.53) CLK4DYRK1ACYP3A4CYP2C19CYP1A2
SCHEMBL14327614 0.81 CLK4 (0.46) CLK4CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL14327593 0.81 JAK2 (0.52) CLK4DYRK1ACYP3A4CYP2D6JAK2
SCHEMBL2633664 0.81 JAK2 (0.52) CYP3A4CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL8941814 0.81 CYP2C9 (0.47) CYP2C9
SCHEMBL10067608 0.76 JAK2 (0.55) CLK4DYRK1ACYP3A4CYP2D6JAK2
SCHEMBL8940238 0.76 JAK2 (0.55) CLK4DYRK1ACYP3A4CYP2C19MAPK1
SCHEMBL8941974 0.75 JAK2 (0.46) CLK4CYP3A4CYP2C19CYP1A2CYP2D6

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-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US 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 (2 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 CLK4 1414/4885DYRK1A 461/4885CYP3A4 3152/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CLK4 1414/4885DYRK1A 461/4885CYP3A4 3152/4885

“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.