SCHEMBL5635534

SCHEMBL5635534

O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.42
JAK2 O60674 7/20 0.42
JAK1 P23458 5/20 0.38
AXL P30530 1/20 0.37

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
SCHEMBL5635925 1.00 JAK3 (0.42) JAK3JAK2JAK1AXL
SCHEMBL5635543 1.00 JAK3 (0.42) JAK3JAK2JAK1AXL
SCHEMBL14237849 0.91 JAK3 (0.39) JAK3JAK2JAK1AXL
SCHEMBL17425367 0.89 GSK3A (0.47) JAK2
SCHEMBL2630353 0.88 JAK3 (0.55) JAK3JAK2JAK1
SCHEMBL2630352 0.88 JAK3 (0.55) JAK3JAK2JAK1
SCHEMBL2630038 0.87
SCHEMBL2630046 0.87
SCHEMBL14237702 0.86 JAK3 (0.40) JAK3JAK2JAK1AXL
SCHEMBL14236585 0.86 JAK3 (0.40) JAK3JAK2JAK1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 WO 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 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.