SCHEMBL6071693

SCHEMBL6071693

N#Cc1cc2ccccc2nc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 5/20 0.62
GAA P10253 3/20 0.62
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 3/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HBB P68871 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
STAT3 P40763 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL15606754 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8026750 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL16334784 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL29904585 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL941858 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL195645 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL1514476 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7014505 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL7016601 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL27680534 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
CN-1044245-C Tricyclic Dicarbonyl derivatives HAFFMANN LA ROCHE AG F (DE) 1999-07-21 CN disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 WO disclosed
EP-0317188-B1 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1995-09-27 EP disclosed
US-5114940-A Insecticides or anthelmintics from fused ring heterocycles containing amides or thioamides ROUSSEL-UCLAF (FR) 1992-05-19 US disclosed
EP-0317188-A2 Heteroaromatic enamide derivatives and their use as pesticides ROUSSEL UCLAF (FR) 1989-05-24 EP 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885KDM4E 1032/4885GAA 4325/4885

“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.