SCHEMBL7010190

SCHEMBL7010190

O=c1[nH]c(-c2ccccc2)c(-c2c[nH]c3ccccc23)n1-c1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SIRT2 Q8IXJ6 3/20 0.42
SIRT1 Q96EB6 1/20 0.42
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
CAMK2D Q13557 2/20 0.41
PRKD3 O94806 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
ABL1 P00519 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL7011009 0.82 SIRT2 (0.47) SMN1; SMN2HTTSIRT2SIRT1PRKCB
SCHEMBL7004902 0.79 CAMK2D (0.56) SMN1; SMN2MAPK1SIRT2SIRT1PRKCB
SCHEMBL7006894 0.79 SIRT2 (0.41) SMN1; SMN2MAPK1SIRT2SIRT1PRKCB
SCHEMBL7010672 0.75 SIRT2 (0.48) MAPK1SIRT2SIRT1PRKCBPRKCA
Trifluoroacetic Acid SCHEMBL7008461 0.74 CAMK2D (0.49) CAMK2DPIM1CDK4PRKACAPRKACG
SCHEMBL8520286 0.73 HSP90AA1 (0.54) SIRT2SIRT1MEN1KMT2AMAPT
3-Phenylindole SCHEMBL84056 0.68 IMPDH2 (0.71) NT5ESMN1; SMN2MAPK1SIRT2PRKCB
3-Phenylindole SCHEMBL29609072 0.68 IMPDH2 (0.71) NT5ESMN1; SMN2MAPK1SIRT2PRKCB
SCHEMBL18392164 0.68 ESR1 (0.54) NT5ESMN1; SMN2MAPK1HPGDHTT
SCHEMBL6976408 0.68 MEN1 (0.40) SMN1; SMN2SIRT2SIRT1PRKCBPRKCA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP claimed
US-6337342-B1 ARYLIMIDAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-08 US claimed
EP-1347978-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030134886-A1 Pharmaceutically active compounds ASTRAZENECA AB, A SWEDISH CORPORATION 2003-07-17 US disclosed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
US-6492409-B1 SUCH AS 5-(1-(3-AMINOPROPYL)-3-INDOLYL)-1-(3-INDOLYL)-1,3-DIHYDROIMIDAZOL-2-ONE; PROTEIN KINASE C INHIBITORS; HIGH SOLUBILITY; REDUCED COLOR; TREATING INFLAMMATORY AND/OR IMMUNOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
WO-2002050078-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-27 WO disclosed
EP-1192150-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-04-03 EP disclosed
US-6337342-B1 ARYLIMIDAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-08 US disclosed
WO-2000078750-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-28 WO disclosed
EP-1042317-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2000-10-11 EP disclosed
WO-1999032483-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 1999-07-01 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-20030134886-A1 Pharmaceutically active compounds HTR3C, HTR6, CNR1 NT5E 3050/4885SMN1; SMN2 3492/4885MAPK1 1413/4885

“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.