SCHEMBL14494151

SCHEMBL14494151

O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccnc3[nH]ccc23)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.44
JAK3 P52333 11/20 0.43
JAK2 O60674 10/20 0.43
TYK2 P29597 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
GUCY1B2 O75343 1/20 0.38
GUCY1A2 P33402 1/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38

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 1.00 JAK1 (0.44) JAK1JAK3JAK2TYK2PIK3CD
SCHEMBL2630353 0.88 JAK3 (0.55) JAK1JAK3JAK2TYK2GUCY1B2
SCHEMBL2630352 0.88 JAK3 (0.55) JAK1JAK3JAK2TYK2GUCY1B2
SCHEMBL16376342 0.85 GUCY1B2 (0.38) JAK3JAK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL16376343 0.85 GUCY1B2 (0.38) JAK3JAK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10125142 0.84 JAK1 (0.44) JAK1JAK3JAK2TYK2
SCHEMBL10044624 0.82 GUCY1B2 (0.40) JAK3JAK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL10044611 0.82 GUCY1B2 (0.40) JAK3JAK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL5635534 0.82 JAK3 (0.42) JAK1JAK3JAK2
SCHEMBL5635543 0.82 JAK3 (0.42) JAK1JAK3JAK2

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 4 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
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.