SCHEMBL10071993

SCHEMBL10071993

Cn1cc(-c2cnc3[nH]cc(I)c3n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.60
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 2/20 0.40
LRRK2 Q5S007 1/20 0.40
PDPK1 O15530 1/20 0.39
CREBBP Q92793 1/20 0.39
MAPT P10636 2/20 0.38
CSF1R P07333 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL15194324 0.80 MAPK1 (0.57) MAPK1FGFR3KDRJAK3LRRK2
SCHEMBL2484874 0.79 MAPK1 (0.56) MAPK1JAK3CREBBP
SCHEMBL1849841 0.76 MAPK1 (0.80) MAPK1JAK3CREBBP
SCHEMBL15653387 0.76 MAPK1 (0.75) MAPK1JAK3CREBBP
SCHEMBL15652768 0.76 MAPK1 (1.00) MAPK1JAK3CREBBP
SCHEMBL19657749 0.75 MAPK1 (0.64) MAPK1JAK3LRRK2CREBBP
SCHEMBL28906256 0.75 MAP4K1 (0.63) MAPK1MAPT
SCHEMBL16932938 0.74 MAPK1 (0.50) MAPK1FGFR3KDRJAK3PDPK1
SCHEMBL16932939 0.74 MAPK1 (0.50) MAPK1FGFR3KDRJAK3PDPK1
SCHEMBL15651919 0.74 MAPK1 (0.65) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635581-B1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-25 EP disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012059171-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 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-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES PDK1, PDK2, PDK3 MAPK1 182/4885FGFR3 1294/4885KDR 890/4885

“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.