SCHEMBL15051373

SCHEMBL15051373

Cc1cnc(NC(=O)OCCF)cc1-n1cc(-c2nc[nH]n2)c(-c2ccccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.34
CHRM3 P20309 2/20 0.33
ABL1 P00519 8/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 0.31
TUBB2B Q9BVA1 3/20 0.31
TUBB1 Q9H4B7 3/20 0.31

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
SCHEMBL31511974 1.00 MAPK1 (0.34) MAPK1CHRM3ABL1CHRM2CHRM1
SCHEMBL31511973 0.92 MAPK1 (0.38) MAPK1CHRM3ABL1TUBB4ATUBB
SCHEMBL15051226 0.92 MAPK1 (0.38) MAPK1CHRM3ABL1TUBB4ATUBB
SCHEMBL15072397 0.89 MAPK1 (0.37) MAPK1ABL1TUBB4ATUBBTUBA3C
SCHEMBL15050758 0.86 PIK3C3 (0.37) MAPK1ABL1TUBB4ATUBBTUBA3C
SCHEMBL15051721 0.86 ABL1 (0.38) MAPK1ABL1
SCHEMBL15050933 0.85 MAPK8 (0.37) MAPK1ABL1TUBB4ATUBBTUBA3C
SCHEMBL15072470 0.84 JAK2 (0.37) CHRM3ABL1TUBB4ATUBBTUBA3C
SCHEMBL31511978 0.84 JAK2 (0.37) CHRM3ABL1TUBB4ATUBBTUBA3C
SCHEMBL15051329 0.84 NPC1 (0.40) MAPK1ABL1TUBB4ATUBBTUBA3C

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-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 MAPK1 1590/4885CHRM3 3973/4885ABL1 801/4885

“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.