SCHEMBL4162013

SCHEMBL4162013

Cc1cc(Nc2cnc(-c3ccc4nc[nH]c4c3)c(N)n2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.39
▸ QPCT Q16769 7/20 0.39
▸ QPCTL Q9NXS2 4/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4167995 0.83 TGFBR1 (0.43) ITKKDM4EMAPTSYKMEN1
SCHEMBL4169624 0.83 ITK (0.43) ITKSYKMEN1HTTKMT2A
SCHEMBL4168909 0.81 IKBKB (0.46) ITKMAPTALDH1A1SYKMEN1
SCHEMBL4179012 0.81 MEN1 (0.46) ITKNPC1RAB9ASYKMEN1
SCHEMBL4303875 0.81 JAK2 (0.49) ITKJAK2JAK3GSK3AGSK3B
SCHEMBL4179956 0.80 JAK2 (0.43) ITKSYKMEN1HTTKMT2A
SCHEMBL4169281 0.80 MEN1 (0.43) ITKSYKMEN1HTTKMT2A
SCHEMBL4167808 0.79 ITK (0.40) ITKSYKMEN1HTTKMT2A
SCHEMBL4170159 0.79 DYRK2 (0.39) ITKRIPK2JAK2JAK3
SCHEMBL4300039 0.79 RET (0.46) ITKKDM4EALDH1A1MEN1KMT2A

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 2 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

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 ITK 951/4885QPCT 1196/4885QPCTL 1491/4885

“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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