SCHEMBL4182702

SCHEMBL4182702

COCc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.40
▸ ITK Q08881 1/20 0.37
▸ RET P07949 6/20 0.35
▸ JAK2 O60674 4/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AURKA O14965 4/20 0.34
▸ SYK P43405 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ RAB29 O14966 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ YES1 P07947 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDR P35968 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
SCHEMBL4170524 0.90 MEN1 (0.38) ITKRETJAK2JAK3AURKA
SCHEMBL4302253 0.88 DHODH (0.37) ITKRETJAK2JAK3SYK
SCHEMBL4169624 0.85 ITK (0.43) ITKJAK2JAK3AURKASYK
SCHEMBL4298197 0.84 DHFR (0.46) KITITKRETJAK2JAK3
SCHEMBL4179956 0.82 JAK2 (0.43) KITITKRETJAK2JAK3
SCHEMBL4300039 0.81 RET (0.46) ITKRETAURKAAURKB
SCHEMBL4169281 0.80 MEN1 (0.43) ITKRETJAK2JAK3AURKA
SCHEMBL4171497 0.79 TNIK (0.45) KITITKRETJAK2JAK3
SCHEMBL4168909 0.78 IKBKB (0.46) ITKRETJAK2JAK3AURKA
SCHEMBL4167343 0.78 ITK (0.41) KITITKRETJAK2JAK3

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 KIT 1103/4885ITK 951/4885RET 370/4885

“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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