SCHEMBL623368

SCHEMBL623368

CC(=O)Nc1cc(N)c(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PTK2 Q05397 1/20 0.46
MAP4K1 Q92918 1/20 0.43
ABL1 P00519 1/20 0.43
MAPK8 P45983 5/20 0.43
MAPK9 P45984 3/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
MAP4K2 Q12851 2/20 0.43
PKN2 Q16513 2/20 0.43
MAPK10 P53779 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
STK17A Q9UEE5 1/20 0.43
PIK3C3 Q8NEB9 6/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL32667175 0.98 L3MBTL1 (0.52) L3MBTL1PTK2MAP4K1ABL1MAPK8
SCHEMBL2026558 0.86 L3MBTL1 (0.53) L3MBTL1PTK2MAP4K1ABL1PIK3C3
SCHEMBL8328931 0.83 L3MBTL1 (0.59) L3MBTL1PTK2MAP4K1ABL1PIK3C3
SCHEMBL18397392 0.81 L3MBTL1 (0.52) L3MBTL1PTK2MAP4K1ABL1MAPK8
SCHEMBL32667078 0.79 L3MBTL1 (0.50) L3MBTL1PTK2MAPK8MAPK9PRKD3
Hydrochloric Acid SCHEMBL30755858 0.79 L3MBTL1 (0.50) L3MBTL1PTK2MAPK8MAPK9PRKD3
Hydrochloric Acid SCHEMBL32667172 0.79 L3MBTL1 (0.46) L3MBTL1PTK2MAPK8MAPK9PRKD3
SCHEMBL20861632 0.79 L3MBTL1 (0.53) L3MBTL1PTK2MAP4K1ABL1PIK3C3
SCHEMBL20772436 0.79 L3MBTL1 (0.53) L3MBTL1PTK2MAP4K1ABL1PIK3C3
SCHEMBL624251 0.79 L3MBTL1 (0.53) L3MBTL1PTK2MAP4K1ABL1PIK3C3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096637-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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (3 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B L3MBTL1 196/4885PTK2 2769/4885MAP4K1 1735/4885
US-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 L3MBTL1 580/4885PTK2 1187/4885MAP4K1 1307/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 L3MBTL1 866/4885PTK2 2248/4885MAP4K1 1706/4885

“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.