SCHEMBL4372445

SCHEMBL4372445

COc1ccc(Cn2nnnc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 7/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL6361740 0.86 P2RX7 (0.65) HSD11B1TDP1ERCC5FEN1P2RX7
SCHEMBL6358318 0.86 P2RX7 (0.61) HSD11B1ERCC5FEN1P2RX7ALDH1A1
SCHEMBL6357793 0.81 P2RX7 (0.70) P2RX7ALDH1A1MEN1KMT2AHDAC6
SCHEMBL26842911 0.80 CYP19A1 (0.49) TDP1ALDH1A1NPC1RAB9AMEN1
SCHEMBL7433479 0.80 ALDH1A1 (0.53) TDP1ERCC5FEN1ALDH1A1PKM
SCHEMBL12098938 0.80 ERCC5 (0.50) HSD11B1ERCC5FEN1P2RX7ALDH1A1
SCHEMBL4373740 0.78 UCHL1 (0.48) HSD11B1TDP1ERCC5FEN1P2RX7
SCHEMBL19732308 0.78 ALDH1A1 (0.54) TDP1ERCC5FEN1ALDH1A1PKM
SCHEMBL6361650 0.78 ALDH1A1 (0.45) TDP1ERCC5FEN1ALDH1A1PKM
SCHEMBL6362785 0.78 ALDH1A1 (0.45) TDP1ERCC5FEN1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 HSD11B1 2433/4885TDP1 1306/4885ERCC5 3963/4885

“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.