SCHEMBL1170747

SCHEMBL1170747

c1cnc2nc(-c3nc4ncccc4[nH]3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.72
METAP2 P50579 1/20 0.72
PDE5A O76074 5/20 0.66
NUDT1 P36639 1/20 0.64
AURKA O14965 7/20 0.64
HPSE Q9Y251 1/20 0.57
PDE2A O00408 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
PRMT5 O14744 1/20 0.54

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
SCHEMBL27787407 0.90 METAP1 (0.66) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL12833538 0.89 KDM4E (0.68) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL1284270 0.86 AURKA (0.73) METAP1METAP2PDE5AAURKAHPSE
Hydrochloric Acid SCHEMBL11776694 0.85 AURKA (0.71) METAP1METAP2PDE5AAURKAHPSE
SCHEMBL11155883 0.85 AURKA (0.67) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL9275644 0.85 METAP1 (1.00) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL30482943 0.85 METAP1 (1.00) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL4048715 0.83 METAP1 (0.58) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL2175033 0.82 CDK1 (0.69) METAP1METAP2PDE5ANUDT1AURKA
SCHEMBL6265481 0.82 AURKA (0.68) METAP1METAP2PDE5ANUDT1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 US claimed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US claimed
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 US disclosed
WO-2009123776-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-10-08 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection HAVCR2, ZC3HAV1, SARS1 METAP1 832/4885METAP2 784/4885PDE5A 4318/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 METAP1 849/4885METAP2 929/4885PDE5A 2217/4885

“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.