SCHEMBL443965

SCHEMBL443965

[CH]1C=Cc2cccnc2N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1809291 0.82 CA12 (0.31) CA12CA1CA2CA9CYP1A2
SCHEMBL7647670 0.73 MAPT (0.39) CA12CA1CA2CA9CYP1A2
SCHEMBL30047108 0.72 AXL (0.31) CA12CA1CA2CA9
SCHEMBL442991 0.67 CYP1A2 (0.31) CYP1A2SMN1; SMN2
SCHEMBL29455183 0.67 CA12 (0.32) CA12CA1CA2CA9CYP1A2
SCHEMBL160279 0.67 CA12 (0.32) CA12CA1CA2CA9CYP1A2
SCHEMBL7056574 0.66 CDC25B (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL21319387 0.66 CDC25B (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL7056579 0.66 CDC25B (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL16187248 0.65 CYP1A2 (0.33) CA12CA1CA2CA9CYP1A2

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101693672-B Peptidomimetic protease inhibitors VERTEX PHARMA 2014-11-12 CN disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
CN-103232381-A Peptidomimetic protease inhibitors VERTEX PHARMA 2013-08-07 CN disclosed
EP-1080075-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2001-03-07 EP disclosed
WO-2001010799-A1 METHODS FOR PREPARING N-[(ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMACEUTICAL PRODUCTS INC. (US) 2001-02-15 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
US-6127515-A Functionalized resin for the synthesis of amides and peptides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-03 US disclosed
WO-2000040547-A1 α-SUBSTITUTION OF UNPROTECTED β-AMINO ESTER COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-13 WO disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CA12 3776/4885CA1 3427/4885CA2 3765/4885

“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.