Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | REN | P00797 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL481898 | 0.96 | PRKACA (0.42) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL4224400 | 0.96 | PRKACA (0.42) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL481897 | 0.96 | PRKACA (0.42) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL481725 | 0.95 | PRKACA (0.41) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL27808762 | 0.81 | CYP4F2 (0.42) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL5949688 | 0.81 | PRKACA (0.42) | PRKACAPRKACGPRKACBNPSR1KMT2A | |
| SCHEMBL4749850 | 0.81 | CHRM1 (0.37) | PRKACAPRKACGPRKACBNPSR1EPHX2 | |
| SCHEMBL21079841 | 0.81 | NPSR1 (0.36) | PRKACAPRKACGPRKACBNPSR1EPHX2 | |
| SCHEMBL4788635 | 0.81 | NPSR1 (0.36) | PRKACAPRKACGPRKACBNPSR1EPHX2 | |
| SCHEMBL25657958 | 0.75 | KMT2A (0.47) | NPSR1KMT2AMEN1NPC1MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2457913-B1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARM LLC (US) | 2017-04-19 | — | — | EP | disclosed |
| US-8372976-B2 | Methods of treatment comprising the administration of heteroaryl compounds | SIGNAL PHARMACEUTICALS, LLC (US) | 2013-02-12 | — | — | US | disclosed |
| EP-2457913-A2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | Signal Pharmaceuticals LLC (US) | 2012-05-30 | — | — | EP | disclosed |
| EP-2078016-B1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20110245245-A1 | METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS | SIGNAL PHARMACEUTICALS, LLC | 2011-10-06 | — | — | US | disclosed |
| US-7981893-B2 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2011-07-19 | — | — | US | disclosed |
| US-20090023724-A1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC | 2009-01-22 | — | — | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110245245-A1 | METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS | JAK2, GLS2, NFKBIA | PRKACA 260/4885PRKACG 559/4885PRKACB 535/4885 |
| US-20090023724-A1 | Heteroaryl compounds, compositions thereof, and methods of treatment therewith | JAK2, PHKG1, PHKG2 | PRKACA 226/4885PRKACG 430/4885PRKACB 425/4885 |
“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.