SCHEMBL4490632

SCHEMBL4490632

Cc1cccc(C(=O)Cc2ccnc3cc(Br)ccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALK Q9UM73 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GRM5 P41594 3/20 0.36
SORT1 Q99523 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 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
SCHEMBL3747756 0.92 ALDH1A1 (0.39) P2RX7RAB9ANPC1TSHRLMNA
SCHEMBL31461243 0.92 ALDH1A1 (0.39) P2RX7RAB9ANPC1TSHRLMNA
SCHEMBL5231489 0.86 PRNP (0.45) P2RX7LMNACYP1A2KDM4ESMN1; SMN2
SCHEMBL6671176 0.86 NPC1 (0.40) P2RX7RAB9ANPC1TP53GRM5
SCHEMBL5235795 0.84 KDR (0.45) RAB9ANPC1LMNAALDH1A1CYP1A2
SCHEMBL5235225 0.84 CYP1A2 (0.49) P2RX7RAB9AGRM5ALDH1A1CYP1A2
SCHEMBL29959459 0.84 CYP1A2 (0.49) P2RX7RAB9AGRM5ALDH1A1CYP1A2
SCHEMBL5234890 0.83 P2RX7 (0.39) P2RX7RAB9ANPC1GRM5CYP1A2
SCHEMBL5236990 0.83 GSK3A (0.44) P2RX7SORT1KDRAURKB
SCHEMBL5238328 0.83 THRB (0.44) P2RX7RAB9ANPC1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 P2RX7 3877/4885RAB9A 1942/4885NPC1 2787/4885

“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.