SCHEMBL4177008

SCHEMBL4177008

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.46
IGF1R P08069 2/20 0.42
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4015982 0.89 NPC1 (0.46) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL4161679 0.88 AURKA (0.49) IGF1RCYP2C9KITPDGFRAKDR
SCHEMBL4165887 0.86 JAK2 (0.42) RAB9ANPC1SMN1; SMN2IGF1RALDH1A1
SCHEMBL13663528 0.85 PLK4 (0.44) HTTIGF1RAURKAAURKBMEN1
SCHEMBL4171530 0.84 IGF1R (0.48) IGF1RAURKAAURKB
SCHEMBL4013576 0.83 NPC1 (0.44) RAB9ANPC1HTTKDRAURKA
SCHEMBL4165669 0.83 MEN1 (0.47) RAB9ANPC1SMN1; SMN2IGF1RALDH1A1
SCHEMBL4156999 0.82 TNIK (0.43) RAB9ANPC1HTTIGF1RAURKA
SCHEMBL4176741 0.78 AURKA (0.49) IGF1RALDH1A1CYP2C9KITPDGFRA
SCHEMBL13663525 0.78 JAK3 (0.53) HTTIGF1RAURKAAURKBMEN1

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 RAB9A 2850/4885NPC1 2810/4885SMN1; 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.