SCHEMBL5276644

SCHEMBL5276644

O=C1CC(Cc2ccccc2)CN1/N=C(\Cc1ccnc2ccccc12)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TACR1 P25103 15/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR3 P29371 1/20 0.34
GRM4 Q14833 1/20 0.33

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
SCHEMBL5276651 1.00 CYP1A2 (0.38) CYP1A2TACR1KDM4ESMN1; SMN2BCHE
SCHEMBL5317558 0.85 CYP1A2 (0.39) CYP1A2KDM4ESMN1; SMN2BCHEMEN1
SCHEMBL5238516 0.85 CYP1A2 (0.41) CYP1A2TACR1KDM4ESMN1; SMN2BCHE
SCHEMBL5238518 0.85 CYP1A2 (0.41) CYP1A2TACR1KDM4ESMN1; SMN2BCHE
SCHEMBL5235435 0.80 CYP1A2 (0.35) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5235444 0.80 CYP1A2 (0.35) CYP1A2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5239257 0.78 CYP1A2 (0.41) CYP1A2TACR1KDM4ESMN1; SMN2BCHE
SCHEMBL5239266 0.78 CYP1A2 (0.41) CYP1A2TACR1KDM4ESMN1; SMN2BCHE
SCHEMBL6102131 0.76 ADRA1A (0.39) TACR1SMN1; SMN2MEN1NPC1MAPT
SCHEMBL6102141 0.76 ADRA1A (0.39) TACR1SMN1; SMN2MEN1NPC1MAPT

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
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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 CYP1A2 3968/4885TACR1 308/4885KDM4E 1699/4885

“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.