SCHEMBL15050758

SCHEMBL15050758

CC(=O)Nc1cc(-n2cc(-c3nc[nH]n3)c(-c3ccccc3Cl)c2)c(C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.37
ABL1 P00519 7/20 0.36
PTK2 Q05397 2/20 0.35
CCNE2 O96020 1/20 0.35
EGFR P00533 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
SRC P12931 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
CCNA1 P78396 1/20 0.35
MAPK1 P28482 3/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 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
SCHEMBL15072397 0.92 MAPK1 (0.37) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL15051721 0.90 ABL1 (0.38) ABL1MAPK1ADORA3JAK2JAK1
SCHEMBL15051329 0.90 NPC1 (0.40) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL15072744 0.88 PIK3C3 (0.38) PIK3C3ABL1EGFRKDRTUBB4A
SCHEMBL15050933 0.87 MAPK8 (0.37) ABL1KDRMAPK1TUBB4ATUBB
SCHEMBL15051373 0.86 MAPK1 (0.34) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL15051226 0.86 MAPK1 (0.38) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL31511973 0.86 MAPK1 (0.38) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL31511974 0.86 MAPK1 (0.34) ABL1MAPK1TUBB4ATUBBTUBA3C
SCHEMBL15050840 0.85 ABL1 (0.36) PIK3C3ABL1PTK2CCNE2EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 PIK3C3 73/4885ABL1 801/4885PTK2 2248/4885

“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.