SCHEMBL5315523

SCHEMBL5315523

Cn1cnc2cc(NN)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.44
FLT3 P36888 1/20 0.44
IP6K1 Q92551 1/20 0.43
MAPT P10636 2/20 0.42
ACVR1 Q04771 2/20 0.40
BRAF P15056 1/20 0.39
SYK P43405 3/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL9922440 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9919056 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9919055 0.80 CHEK1 (0.56) KDM4ECHEK1FLT3SYK
SCHEMBL9919064 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL12160615 0.77 CHEK1 (0.45) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7600928 0.77 L3MBTL1 (0.49) KDM4EALDH1A1HPGDL3MBTL1CHEK1
SCHEMBL23109663 0.76 RAB9A (0.53) KDM4EALDH1A1HPGDHSD17B10IP6K1
SCHEMBL9919062 0.76 SYK (0.44) KDM4EALDH1A1HPGDHSD17B10CHEK1
SCHEMBL9919061 0.76 SYK (0.45) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5312155 0.76 L3MBTL1 (0.48) KDM4EALDH1A1HPGDL3MBTL1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053352-A2 PYRROLOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 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-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C KDM4E 3529/4885ALDH1A1 1594/4885HPGD 713/4885

“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.