SCHEMBL1806705

SCHEMBL1806705

Cc1cc(-c2nc(Cl)ncc2Cl)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALK Q9UM73 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLK4 O00444 2/20 0.38
PAK4 O96013 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
AURKA O14965 3/20 0.36
AURKB Q96GD4 2/20 0.36
RPS6KA5 O75582 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 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
SCHEMBL31334476 0.75 HCAR2 (0.43) MEN1HTTKMT2ASMN1; SMN2HCAR2
SCHEMBL31333678 0.75 HCAR2 (0.43) MEN1HTTKMT2ASMN1; SMN2HCAR2
SCHEMBL24638212 0.71 L3MBTL1 (0.44) L3MBTL1ALKHSD17B10MEN1HTT
SCHEMBL218642 0.70 MEN1 (0.62) ALKHSD17B10MEN1HTTKMT2A
SCHEMBL16665657 0.69 RPS6KA5 (0.40) RPS6KA5KDM4EBTK
SCHEMBL16665702 0.67 RPS6KA5 (0.42) RPS6KA5KDM4EBTK
SCHEMBL14927223 0.67 NPC1 (0.42) L3MBTL1ALKHSD17B10NPC1RAB9A
SCHEMBL4161277 0.67 NPC1 (0.42) L3MBTL1ALKHSD17B10NPC1RAB9A
SCHEMBL4169628 0.66 NPC1 (0.49) L3MBTL1ALKHSD17B10HTTNPC1
SCHEMBL30037575 0.66 BTK (0.38) L3MBTL1HTTSMN1; SMN2RPS6KA5KDM4E

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
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 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-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK L3MBTL1 3687/4885ALK 12/4885HSD17B10 2808/4885

“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.