SCHEMBL4166686

SCHEMBL4166686

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ NOTUM Q6P988 6/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ ITK Q08881 1/20 0.37
▸ COMT P21964 1/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ SYK P43405 1/20 0.36
▸ RORB Q92753 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ STK10 O94804 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR1 P11362 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 0.87 IKBKB (0.46) MEN1HTTKMT2AHSD17B10ITK
SCHEMBL4168663 0.86 AURKB (0.43) MEN1HTTKMT2AHSD17B10ITK
SCHEMBL4169281 0.86 MEN1 (0.43) MEN1HTTKMT2AHSD17B10CYP1A2
SCHEMBL4179012 0.82 MEN1 (0.46) MEN1HTTKMT2AHSD17B10ITK
SCHEMBL4171086 0.82 NPC1 (0.41) MEN1HTTKMT2AHSD17B10CYP1A2
SCHEMBL4302253 0.82 DHODH (0.37) DHODHITKNTRK1JAK2JAK3
SCHEMBL4170573 0.81 NTRK1 (0.40) MEN1HTTKMT2AHSD17B10ITK
SCHEMBL4169624 0.80 ITK (0.43) DHODHMEN1HTTKMT2AHSD17B10
SCHEMBL4303875 0.80 JAK2 (0.49) CYP1A2ITKNTRK1JAK2JAK3
SCHEMBL4170524 0.80 MEN1 (0.38) MEN1HTTKMT2AHSD17B10CYP1A2

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 DHODH 3096/4885NOTUM 3709/4885MEN1 3321/4885

“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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