SCHEMBL3672075

SCHEMBL3672075

COc1ccc(OCC(=N)N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.71
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
IDO1 P14902 2/20 0.52
MAOB P27338 1/20 0.51
AOC3 Q16853 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PTGIR P43119 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL9194768 0.83 WDR5 (1.00) WDR5PRSS1PRSS2PRSS3GAA
SCHEMBL9731633 0.81 WDR5 (0.65) WDR5PRSS1PRSS2PRSS3MAOB
SCHEMBL17244020 0.81 WDR5 (0.58) WDR5PRSS1GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL3663564 0.80 WDR5 (0.63) WDR5PRSS1PRSS2PRSS3MAOB
SCHEMBL3368887 0.79 WDR5 (0.66) WDR5PRSS1IDO1MAOBGAA
SCHEMBL4100035 0.79 WDR5 (0.66) WDR5PRSS1MAOBMAPTLMNA
SCHEMBL1031505 0.79 MAPT (0.58) MAOBAOC3GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL11131471 0.79 WDR5 (0.66) WDR5PRSS1PRSS3MAOBGAA
SCHEMBL21360612 0.79 WDR5 (0.66) WDR5PRSS1PRSS2PRSS3
SCHEMBL9500592 0.79 MAPT (0.47) WDR5PRSS1PRSS2PRSS3MAOB

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-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
EP-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
US-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US disclosed
US-5167949-A Antiallergic LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-12-01 US disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD WDR5 4521/4885PRSS1 3797/4885PRSS2 4358/4885

“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.