SCHEMBL4171713

SCHEMBL4171713

Cc1cc(Nc2cnc(-c3ccc(Cl)c(N4CCCC4)c3)c(N)n2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.40
▸ AURKA O14965 11/20 0.40
▸ AURKB Q96GD4 6/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PAK4 O96013 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ NTRK1 P04629 1/20 0.35

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
SCHEMBL4168909 0.85 IKBKB (0.46) AURKAAURKBMEN1HTTKMT2A
SCHEMBL4169281 0.84 MEN1 (0.43) IGF1RAURKAAURKBMEN1HTT
SCHEMBL4168663 0.82 AURKB (0.43) AURKAAURKBMEN1HTTKMT2A
SCHEMBL4170573 0.80 NTRK1 (0.40) AURKAAURKBMEN1HTTKMT2A
SCHEMBL4179012 0.80 MEN1 (0.46) AURKAMEN1HTTKMT2AHSD17B10
SCHEMBL4171086 0.80 NPC1 (0.41) AURKAAURKBMEN1HTTKMT2A
SCHEMBL4171046 0.80 PLK4 (0.41) IGF1RAURKAAURKBMEN1HTT
SCHEMBL4166686 0.79 DHODH (0.40) AURKAAURKBMEN1HTTKMT2A
SCHEMBL4167808 0.79 ITK (0.40) IGF1RAURKAAURKBMEN1HTT
SCHEMBL4169624 0.78 ITK (0.43) IGF1RAURKAAURKBMEN1HTT

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 3 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

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 IGF1R 512/4885AURKA 408/4885AURKB 322/4885

“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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