SCHEMBL8943361

SCHEMBL8943361

CCc1cnc(Cl)nc1-c1c[nH]c2ncc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.49
▸ RPS6KA5 O75582 2/20 0.46
▸ CCNT1 O60563 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK7 P50613 3/20 0.38
▸ CCNH P51946 3/20 0.38
▸ MNAT1 P51948 3/20 0.38
▸ CCNK O75909 2/20 0.38
▸ CDK12 Q9NYV4 2/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ SGK1 O00141 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.37
▸ BRAF P15056 1/20 0.36

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
SCHEMBL15998701 0.89 JAK2 (0.48) JAK2CCNT1CDK2CDK9CCNA2
SCHEMBL15648351 0.78 CDK2 (0.55) RPS6KA5CCNT1CDK2CDK9CDK7
SCHEMBL19710201 0.77 JAK2 (0.50) JAK2BRAF
SCHEMBL16152907 0.72 HPGD (0.31) —
SCHEMBL25598658 0.69 CCNT1 (0.60) JAK2RPS6KA5CCNT1CDK2CDK9
SCHEMBL14327598 0.69 JAK2 (0.38) JAK2
SCHEMBL8942851 0.67 JAK2 (0.65) JAK2RPS6KA5CCNT1CDK2CDK9
SCHEMBL14712339 0.67 JAK2 (0.49) JAK2CCNT1CDK2CDK9CCNA2
SCHEMBL27787175 0.67 JAK2 (0.51) JAK2BRAF
SCHEMBL8941748 0.66 JAK2 (1.00) JAK2CDK2SGK1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885RPS6KA5 174/4885CCNT1 878/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK2 2/4885RPS6KA5 174/4885CCNT1 878/4885
US-20140249138-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK2 2/4885RPS6KA5 174/4885CCNT1 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.

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