SCHEMBL10125409

SCHEMBL10125409

Clc1cnc2[nH]ccc2c1NC1CCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.60
JAK2 O60674 14/20 0.60
HPGDS O60760 1/20 0.54
JAK3 P52333 9/20 0.46
TYK2 P29597 2/20 0.45
AURKA O14965 1/20 0.44
PRKCA P17252 1/20 0.44
KDR P35968 1/20 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
SCHEMBL1717444 1.00 JAK1 (0.60) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL1718163 0.99 JAK1 (0.60) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL10125424 0.86 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2105053 0.86 JAK1 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL12347953 0.84 JAK1 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL1934804 0.83 JAK2 (0.60) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL15203406 0.83 JAK1 (0.60) JAK1JAK2HPGDSJAK3AURKA
SCHEMBL30173286 0.82 JAK1 (0.59) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL28608390 0.82 JAK1 (0.59) JAK1JAK2HPGDSJAK3TYK2
SCHEMBL14494043 0.81 JAK1 (0.66) JAK1JAK2HPGDSJAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885HPGDS 700/4885

“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.