SCHEMBL2053090

SCHEMBL2053090

C=CCc1cncn1CC=C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6950271 0.82 CYP11B1 (0.44) AVPR2AVPR1AADORA2B
SCHEMBL27364397 0.75
SCHEMBL5779690 0.73
Iodide SCHEMBL27303018 0.73 CYP19A1 (0.41) ADORA2B
SCHEMBL9497797 0.73 ADORA2B (0.33) ADORA2B
Hydrochloric Acid SCHEMBL9443719 0.72 ADORA2B (0.32) ADORA2B
SCHEMBL9038632 0.71 CYP11B1 (0.46) ADORA2BKDM4E
SCHEMBL15202232 0.68 ALDH1A1 (0.37) ADORA2BKDM4E
SCHEMBL9533398 0.68 PPARG (0.35) ADORA2BMAPTTHRB
SCHEMBL13516912 0.67 CYP11B1 (0.60) KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO disclosed
EP-1233663-B1 Via fill compositions for direct attach of devices and methods for applying same IBM (US) 2004-12-15 EP disclosed
US-6518096-B2 Interconnect assembly and Z-connection method for fine pitch substrates FUJITSU LIMITED (JP) 2003-02-11 US disclosed
EP-0653904-B1 Via fill compositions for direct attach of devices and methods for applying same IBM (US) 2002-12-11 EP disclosed
EP-1233663-A2 Via fill compositions for direct attach of devices and methods for applying same International Business Machines Corporation (US) 2002-08-21 EP disclosed
US-20020090754-A1 Interconnect assembly and z-connection method for fine pitch substrates FUJITSU LIMITED (JP) 2002-07-11 US disclosed
US-6197122-B1 THERMALLY DECOMPOSING ENCAPSULATION AND UNDERFILL TO PROVIDE RESIDUE ON ELECTRONIC COMPONENTS AND DISSOLVING RESIDUE IN POLAR OR BASIC SOLVENT TO EXPOSE ELECTRONIC COMPONENTS CORNELL RESEARCH FOUNDATION, INC. 2001-03-06 US disclosed
US-6194024-B1 CONNECTING TWO CIRCUIT CARRIERS; FILLING HOLE WITH SOLDER SPHERE INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-02-27 US disclosed
US-5973033-A CURED THERMOSETS FOR ENCAPSULATION AND UNDERFILL FOR ELECTRONIC COMPONENTS THAT ARE THERMALLY DECOMPOSABLE TO ALLOW REPAIR, REPLACEMENT, RECOVERY OR RECYCLING OF OPERATIVE ELECTRONIC COMPONENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-26 US disclosed
US-5948922-A CROSSLINKING THERMOSETTING RESINS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-09-07 US disclosed
US-5887345-A Method for applying curable fill compositon to apertures in a substrate INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-03-30 US disclosed
US-5766670-A Via fill compositions for direct attach of devices and methods for applying same INTERNATIONAL BUSINESS MACHINES CORPORATION 1998-06-16 US disclosed
US-5571593-A CIRCUIT CARRIERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-11-05 US disclosed
EP-0653904-A2 Via fill compositions for direct attach of devices and methods for applying same International Business Machines Corporation (US) 1995-05-17 EP disclosed
WO-1994004507-A1 BASKET PORPHYRIN OXYGEN CARRIERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-03-03 WO disclosed
EP-0309844-B1 PROCESS FOR THE PREPARATION OF CHLOROTHIOL FORMIATES BASF Aktiengesellschaft (DE) 1991-12-04 EP disclosed
EP-0309844-A1 Process for the preparation of chlorothiol formiates BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed
US-4331582-A Epoxy latent catalyst HITCO (US) 1982-05-25 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 (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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 AVPR2 634/4885AVPR1A 415/4885ADORA2B 909/4885

“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.