SCHEMBL8940047

SCHEMBL8940047

Clc1cnc2[nH]cc(-c3ccnc(NCc4ccccc4)n3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.57
CDK9 P50750 6/20 0.57
CCNT1 O60563 5/20 0.57
CCNA2 P20248 5/20 0.57
JAK2 O60674 3/20 0.55
CDK1 P06493 4/20 0.49
CCNB2 O95067 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
EIF2AK2 P19525 2/20 0.49
GSK3B P49841 6/20 0.48
CDC7 O00311 6/20 0.48
PRKACA P17612 5/20 0.48
HIPK2 Q9H2X6 5/20 0.48
IRAK4 Q9NWZ3 5/20 0.48
PIM1 P11309 4/20 0.48
MKNK2 Q9HBH9 4/20 0.48
MAP4K4 O95819 3/20 0.48
RET P07949 4/20 0.47
ROCK2 O75116 3/20 0.47

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
SCHEMBL1666442 0.87 CDK2 (0.57) CDK2CDK9CCNT1CCNA2JAK2
SCHEMBL8940238 0.84 JAK2 (0.55) CDK2CDK9CCNT1JAK2CDK1
SCHEMBL11989643 0.84 CDK2 (0.56) CDK2CDK9CCNT1CCNA2JAK2
SCHEMBL1668583 0.82 CDK2 (0.80) CDK2CDK9CCNT1CCNA2JAK2
SCHEMBL8939991 0.82 CDK2 (0.66) CDK2CDK9CCNT1CCNA2JAK2
SCHEMBL8939809 0.80 CLK4 (0.71) CDK2CDK9JAK2CDK1GSK3B
SCHEMBL18941869 0.80 CCNT1 (0.66) CDK2CDK9CCNT1CCNA2EIF2AK2
SCHEMBL8940289 0.79 JAK2 (0.49) CDK2CDK9JAK2CDK1GSK3B
SCHEMBL8940392 0.78 JAK2 (0.46) CDK2CDK9JAK2CDK1GSK3B
SCHEMBL8940314 0.78 JAK2 (0.47) CDK2CCNT1JAK2CDK1GSK3B

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 19 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-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-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 US disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 US disclosed
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 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
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP 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 (5 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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDK2 23/4885CDK9 85/4885CCNT1 878/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 CDK2 23/4885CDK9 85/4885CCNT1 878/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDK2 23/4885CDK9 85/4885CCNT1 878/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 CDK2 1172/4885CDK9 1899/4885CCNT1 3298/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 CDK2 23/4885CDK9 85/4885CCNT1 878/4885

“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.