SCHEMBL4179012

SCHEMBL4179012

Cc1cc(Nc2cnc(-c3ccc(Cl)cc3)c(N)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RET P07949 2/20 0.45
▸ AURKA O14965 4/20 0.43
▸ PLK4 O00444 4/20 0.43
▸ PAK4 O96013 3/20 0.43
▸ SRC P12931 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ IKBKB O14920 1/20 0.42
▸ MAP3K14 Q99558 1/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ JAK2 O60674 3/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ SYK P43405 2/20 0.39
▸ PAK1 Q13153 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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 0.88 IKBKB (0.46) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4303875 0.88 JAK2 (0.49) RETAURKAPLK4PAK4SRC
SCHEMBL4169281 0.87 MEN1 (0.43) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4300039 0.86 RET (0.46) MEN1KMT2ARETAURKAPLK4
SCHEMBL4167343 0.86 ITK (0.41) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4169624 0.85 ITK (0.43) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4168663 0.85 AURKB (0.43) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4164963 0.85 MEN1 (0.49) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4173931 0.85 MEN1 (0.43) MEN1HTTKMT2AHSD17B10RET
SCHEMBL4171086 0.83 NPC1 (0.41) MEN1HTTKMT2AHSD17B10RET

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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 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 (2 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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C MEN1 3074/4885HTT 324/4885KMT2A 1323/4885
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 MEN1 3321/4885HTT 1548/4885KMT2A 844/4885

“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.

Send feedback