SCHEMBL4423022

SCHEMBL4423022

O=C(n1ncc2ccccc21)n1ncc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.55
ELANE P08246 1/20 0.55
ASAH1 Q13510 2/20 0.51
TFPI2 P48307 1/20 0.51
KMO O15229 1/20 0.50
PKM P14618 1/20 0.46
RECQL P46063 2/20 0.43
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
DAO P14920 1/20 0.40
CYP1A2 P05177 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
SCHEMBL260982 0.86 SLC22A12 (0.54) SLC22A12ELANEASAH1TFPI2KMO
SCHEMBL1087434 0.84 CHEK1 (0.60) SLC22A12ELANEASAH1TFPI2KMO
SCHEMBL2025416 0.84 SLC22A12 (0.56) SLC22A12ELANEASAH1TFPI2KMO
Indazole Carboxamide SCHEMBL42505 0.84 SLC22A12 (0.53) SLC22A12ELANEASAH1TFPI2KMO
Hydrochloric Acid SCHEMBL30581596 0.84 SLC22A12 (0.53) SLC22A12ELANEASAH1TFPI2KMO
SCHEMBL8544774 0.83 TFPI2 (0.46) SLC22A12ELANEASAH1TFPI2POLB
Indazole Carboxamide SCHEMBL15638369 0.82 SLC22A12 (0.51) SLC22A12ELANEASAH1TFPI2KMO
SCHEMBL496975 0.81 ELANE (0.70) SLC22A12ELANEASAH1TFPI2KMO
SCHEMBL27987640 0.81 ALDH1A1 (0.51) SLC22A12ELANEASAH1TFPI2CYP1A2
SCHEMBL2034393 0.81 HTT (0.51) SLC22A12ELANEASAH1TFPI2HSD17B10

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
CN-107969127-A APOA-1 FUSION POLYPEPTIDES AND RELATED COMPOSITIONS AND METHODS 赛瑞品股份有限公司 2018-04-27 CN disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO disclosed
US-6372778-B1 AMINE HYDROXYALKYL SULFONAMIDE AS ENZYME INHIBITORS VERTEX PHARMACEUTICALS, INCORPORATED 2002-04-16 US disclosed
US-4443246-A Herbicidal pyridyl-ethoxy-phenyl urea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-17 US disclosed
EP-0067718-A1 Urea derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-22 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 SLC22A12 820/4885ELANE 836/4885ASAH1 1090/4885

“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.