SCHEMBL3134178

SCHEMBL3134178

c1cc2cnc(C3CCNCC3)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 2/20 0.40
TYK2 P29597 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
PAK4 O96013 1/20 0.36
USP7 Q93009 2/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
AXL P30530 1/20 0.33
NUDT1 P36639 1/20 0.33
QDPR P09417 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL30406662 0.87 ALOX5AP (0.41) JAK2JAK1JAK3TYK2AXL
SCHEMBL5355503 0.87 JAK1 (0.42) JAK2JAK1JAK3TYK2
SCHEMBL25523073 0.87 ALOX5AP (0.41) JAK2JAK1JAK3TYK2AXL
SCHEMBL31251321 0.77 FAAH (0.36) JAK2JAK1JAK3TYK2AXL
SCHEMBL16113191 0.73 APP (0.32) AXLNUDT1APP
SCHEMBL4963862 0.72 MEN1 (0.46) CDK7CDK9SLC18A3SIGMAR1MEN1
SCHEMBL30031043 0.72 MEN1 (0.46) CDK7CDK9SLC18A3SIGMAR1MEN1
SCHEMBL4062743 0.72 AXL (0.32) AXLNUDT1APP
SCHEMBL30945076 0.72 HRH4 (0.43) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL28298844 0.71 AXL (0.33) JAK2JAK1AXLNUDT1APP

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-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 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-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 JAK2 54/4885JAK1 82/4885JAK3 78/4885

“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.