SCHEMBL12433139

SCHEMBL12433139

c1cc(-c2n[nH]c3nccnc23)nc(N2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.55
▸ PIM2 Q9P1W9 10/20 0.55
▸ PIM3 Q86V86 9/20 0.55
▸ PRKCA P17252 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53
▸ PRKCD Q05655 1/20 0.53

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
SCHEMBL9881936 0.84 PRKCA (0.64) PIM1PIM2PIM3PRKCAPRKCQ
SCHEMBL16256476 0.84 PRKCQ (0.58) PIM1PIM2PIM3PRKCQPRKCD
SCHEMBL9881926 0.80 PIM1 (0.65) PIM1PIM2PIM3PRKCAPRKCQ
SCHEMBL9882138 0.78 PIM1 (0.52) PIM1PIM2PIM3PRKCAPRKCQ
SCHEMBL14725582 0.76 PRKCQ (0.53) PIM1PRKCAPRKCQPRKCD
SCHEMBL9881986 0.75 PIM1 (0.61) PIM1PIM2PIM3
SCHEMBL14713855 0.73 PIM1 (0.74) PIM1PIM2PIM3
SCHEMBL2357126 0.73 JAK2 (0.40) PIM1
SCHEMBL14688717 0.72 PIM1 (1.00) PIM1PIM2PIM3
SCHEMBL14689216 0.71 PIM1 (1.00) PIM1PIM2PIM3

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-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
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 PIM1 275/4885PIM2 208/4885PIM3 283/4885

“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.

Send feedback