SCHEMBL4015982

SCHEMBL4015982

Cc1cc(Nc2cncc(Nc3ccc(F)c(NC(=O)NC4CCCCC4)c3)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.44
EPHX2 P34913 3/20 0.43
POLB P06746 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
EPHX1 P07099 2/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
AURKA O14965 1/20 0.41
RIPK1 Q13546 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL4177008 0.89 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2AEPHX2
SCHEMBL4165419 0.86 JAK2 (0.47) NPC1RAB9ASMN1; SMN2JAK2JAK3
SCHEMBL4164782 0.84 JAK2 (0.48) JAK2JAK3KDRAURKAAURKB
SCHEMBL4016167 0.83 JAK2 (0.45) NPC1RAB9ASMN1; SMN2KMT2AJAK2
SCHEMBL4176386 0.82 JAK2 (0.47) JAK2JAK3KITKDRAURKA
SCHEMBL4176741 0.78 AURKA (0.49) JAK2JAK3KITPDGFRAKDR
SCHEMBL13663526 0.78 JAK2 (0.58) JAK2JAK3AURKAAURKB
SCHEMBL4161679 0.78 AURKA (0.49) JAK2JAK3KITPDGFRAKDR
SCHEMBL4177052 0.78 RET (0.54) JAK2JAK3AURKAAURKB
SCHEMBL4178647 0.77 JAK2 (0.44) KMT2AJAK2JAK3AURKARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 NPC1 2810/4885RAB9A 2850/4885SMN1; SMN2 2483/4885

“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.