SCHEMBL2357126

SCHEMBL2357126

Clc1cccc(-c2n[nH]c3nccnc23)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ GRM4 Q14833 9/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ ITK Q08881 1/20 0.33

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
SCHEMBL6358084 0.73 MAPK1 (0.38) GRM4ITK
SCHEMBL12433139 0.73 PIM1 (0.55) PIM1
SCHEMBL16256476 0.68 PRKCQ (0.58) PIM1
SCHEMBL30492599 0.66 CYP3A4 (0.50) JAK2IDH1
SCHEMBL1071454 0.66 CYP3A4 (0.50) JAK2IDH1
SCHEMBL4143459 0.66 MAPK9 (0.49) GRM4ITK
SCHEMBL14906031 0.64 GRM4 (0.71) GRM4PIM1
SCHEMBL24809485 0.64 TGFBR1 (0.40) JAK2IDH1TGFBR1ITK
SCHEMBL19801401 0.63 GRM4 (0.33) GRM4
SCHEMBL29727933 0.63 KDM4E (0.71) —

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-8895740-B2 Pyrazolopyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-25 — — US disclosed
US-8895740-B2 Pyrazolopyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-25 — — US disclosed
US-8895740-B2 Pyrazolopyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-25 — — US disclosed
US-20130053388-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 — — US disclosed
US-20130053388-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 — — US disclosed
US-20130053388-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 — — US disclosed
EP-2550272-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 — — EP disclosed
WO-2011094288-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 — — WO disclosed
WO-2011094288-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-04 — — 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-20130053388-A1 PYRAZOLOPYRAZINE KINASE INHIBITORS MAP3K5, MAP3K2, MAP3K20 JAK2 159/4885GRM4 3473/4885NR1H4 3914/4885

“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.

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