SCHEMBL16628156

SCHEMBL16628156

CNc1ccnc(-c2c[nH]c3ncccc23)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.62
JAK2 O60674 3/20 0.53
CDK9 P50750 3/20 0.53
MARK3 P27448 3/20 0.53
PRKCD Q05655 3/20 0.53
CAMK2G Q13555 3/20 0.53
CDC42BPA Q5VT25 3/20 0.53
SLK Q9H2G2 3/20 0.53
TYK2 P29597 2/20 0.53
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
TAOK1 Q7L7X3 2/20 0.53
PLK4 O00444 1/20 0.53
STK10 O94804 1/20 0.53
ABL1 P00519 1/20 0.53
PRKCB P05771 1/20 0.53
MET P08581 1/20 0.53
TOP2A P11388 1/20 0.53
PRKCA P17252 1/20 0.53
CSNK2A2 P19784 1/20 0.53

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
SCHEMBL1050911 0.81 TGFBR1 (0.60) CDK9ROCK2ROCK1TAOK1DYRK1A
SCHEMBL8942167 0.80 DYRK1A (0.59) CDK9ROCK1TAOK1DYRK1APDPK1
SCHEMBL21014989 0.80 CYP3A4 (0.49) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL1666229 0.79 CDC7 (0.63) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL14886136 0.79 JAK3 (0.53) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL2633664 0.79 JAK2 (0.52) JAK3JAK2CDK9CYP1A2CYP3A4
SCHEMBL14555147 0.78 JAK3 (0.60) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL16626024 0.78 JAK3 (0.65) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL14883444 0.77 JAK3 (0.78) JAK3JAK2CDK9MARK3PRKCD
SCHEMBL19832092 0.77 JAK3 (0.64) JAK3JAK2CDK9MARK3PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141548-B9 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMA (US) 2020-08-12 EP disclosed
US-9090614-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-04-09 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-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 JAK3 2/4885JAK2 1/4885CDK9 20/4885

“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.