SCHEMBL5094279

SCHEMBL5094279

O=C(Cn1nc2ccccc2n1)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ GLA P06280 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ P2RX7 Q99572 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ ERCC5 P28715 1/20 0.49
▸ FEN1 P39748 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TNF P01375 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ AGTR1 P30556 2/20 0.47

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
SCHEMBL16411136 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL5094972 0.76 CA12 (0.64) ALDH1A1MAPK1CA12CA1CA9
SCHEMBL5094283 0.76 GAA (0.70) ALDH1A1GLATHRBAGTR1SMN1; SMN2
SCHEMBL6558564 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL29707648 0.74 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL14079168 0.73 P2RX7 (0.56) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL5093510 0.73 CA12 (0.62) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL5089058 0.72 ALDH1A1 (0.53) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL5093410 0.72 ALDH1A1 (0.53) ALDH1A1MAPK1HIF1ACA12CA1
SCHEMBL1250955 0.71 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1ACA12CA1

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
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 — — US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 — — US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 — — US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 — — US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 — — US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 — — 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3522/4885MAPK1 418/4885HIF1A 2131/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885MAPK1 436/4885HIF1A 2097/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885MAPK1 436/4885HIF1A 2097/4885

“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.

Send feedback