SCHEMBL5234977

SCHEMBL5234977

NN=C(Cc1ccnc2ccccc12)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
NCF1 P14598 1/20 0.40
FERMT2 Q96AC1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL5237043 1.00 LOXL2 (0.49) LOXL2CYP1A2ALDH1A1HTTNCF1
SCHEMBL5238496 0.85 LOXL2 (0.45) LOXL2CYP1A2ALDH1A1NCF1FERMT2
SCHEMBL5236870 0.85 LOXL2 (0.45) LOXL2CYP1A2ALDH1A1NCF1FERMT2
SCHEMBL5234728 0.84 LOXL2 (0.44) LOXL2CYP1A2ALDH1A1NCF1FERMT2
SCHEMBL5237340 0.84 LOXL2 (0.44) LOXL2CYP1A2ALDH1A1NCF1FERMT2
SCHEMBL5237411 0.83 LOXL2 (0.43) LOXL2CYP1A2ALDH1A1HTTNCF1
SCHEMBL5241086 0.83 LOXL2 (0.43) LOXL2CYP1A2ALDH1A1HTTNCF1
SCHEMBL5237494 0.83 LOXL2 (0.43) LOXL2CYP1A2ALDH1A1HTTNCF1
SCHEMBL5236321 0.83 LOXL2 (0.43) LOXL2CYP1A2ALDH1A1HTTNCF1
SCHEMBL5236327 0.83 LOXL2 (0.43) LOXL2CYP1A2ALDH1A1HTTNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20060079680-A1 Pyrazoloazepine compounds as pharmaceutical agents ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-04-13 US disclosed
EP-1578749-A2 PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-09-28 EP disclosed
WO-2004048381-A2 PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-10 WO disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (2 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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 LOXL2 1933/4885CYP1A2 3968/4885ALDH1A1 2217/4885
US-20060079680-A1 Pyrazoloazepine compounds as pharmaceutical agents KCNH1, KCNK5, CYP3A5 LOXL2 4112/4885CYP1A2 140/4885ALDH1A1 405/4885

“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.