SCHEMBL8991801

SCHEMBL8991801

CCN(CCN(C)C)c1cccc(-c2c[nH]c3ncc(Cl)cc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
CCNT1 O60563 5/20 0.40
CCNA2 P20248 5/20 0.40
CDK2 P24941 5/20 0.40
CDK9 P50750 5/20 0.40
CYP3A4 P08684 1/20 0.40
ROCK1 Q13464 1/20 0.40
CNR1 P21554 1/20 0.39
RET P07949 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDPK1 O15530 5/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
BRAF P15056 1/20 0.36
PIK3CA P42336 1/20 0.36
NTRK1 P04629 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
SCHEMBL8986909 0.89 JAK2 (0.45) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8988070 0.85 CYP3A4 (0.40) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8940795 0.84 JAK2 (0.54) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8940938 0.79 JAK2 (0.47) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8942459 0.79 JAK2 (0.55) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8942195 0.78 CDK2 (0.52) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8942068 0.78 CCNT1 (0.51) JAK2CCNT1PIM1PIM3PIM2
SCHEMBL15721569 0.75 JAK2 (0.58) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8941861 0.74 JAK2 (0.59) JAK2CCNT1CCNA2CDK2CDK9
SCHEMBL8942639 0.73 JAK2 (0.56) JAK2CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 JAK2 2/4885CCNT1 878/4885CCNA2 506/4885

“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.