SCHEMBL4161611

SCHEMBL4161611

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ROCK2 O75116 4/20 0.39
▸ SYK P43405 1/20 0.38
▸ UTS2R Q9UKP6 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PAICS P22234 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PRKACA P17612 1/20 0.34

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
SCHEMBL4171086 0.86 NPC1 (0.41) AURKACYP1A2CYP3A4CYP2D6MEN1
SCHEMBL4165767 0.84 MGAM (0.44) IGF1RAURKACYP1A2CYP3A4CYP2D6
SCHEMBL4168909 0.82 IKBKB (0.46) AURKASYKMEN1HTTKMT2A
SCHEMBL4169281 0.81 MEN1 (0.43) IGF1RAURKACYP1A2CYP3A4CYP2D6
SCHEMBL4168663 0.80 AURKB (0.43) AURKAMEN1HTTKMT2AHSD17B10
SCHEMBL13663580 0.79 UTS2R (0.45) IGF1RAURKACYP1A2CYP3A4CYP2D6
SCHEMBL4170524 0.79 MEN1 (0.38) IGF1RAURKACYP1A2CYP3A4CYP2D6
SCHEMBL4179012 0.78 MEN1 (0.46) AURKASYKMEN1HTTKMT2A
SCHEMBL4298197 0.78 DHFR (0.46) AURKASYKGSK3BITKRET
SCHEMBL4166686 0.77 DHODH (0.40) AURKACYP1A2SYKMEN1HTT

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 4 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
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 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 408/4885CYP1A2 3136/4885

“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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