SCHEMBL10125142

SCHEMBL10125142

O=C(NCC(F)(F)F)[C@H]1CCCCN1c1ccnc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.44
JAK3 P52333 8/20 0.43
JAK2 O60674 7/20 0.43
TYK2 P29597 1/20 0.42
CHEK1 O14757 9/20 0.42
PDCD1 Q15116 9/20 0.42
CD274 Q9NZQ7 9/20 0.42
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40

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
SCHEMBL14494146 0.84 JAK1 (0.44) JAK1JAK3JAK2TYK2
SCHEMBL14494151 0.84 JAK1 (0.44) JAK1JAK3JAK2TYK2
SCHEMBL14236634 0.83 JAK3 (0.42) JAK1JAK3JAK2TYK2
SCHEMBL2630065 0.82 JAK3 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL14236482 0.81 JAK3 (0.42) JAK1JAK3JAK2TYK2
SCHEMBL2630237 0.80 JAK3 (0.42) JAK1JAK3JAK2TYK2
SCHEMBL2630056 0.79 JAK3 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL2630054 0.79 JAK3 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL10044787 0.79 F2 (0.37) JAK1JAK3JAK2
SCHEMBL10044762 0.78 PIM1 (0.43) JAK1JAK3JAK2TYK2

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 7 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
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 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 2/4885JAK3 3/4885JAK2 1/4885

“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.