SCHEMBL15054199

SCHEMBL15054199

COc1ccc(/C(C)=N\N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
PARP10 Q53GL7 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
NOS3 P29474 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL10033601 1.00 CA1 (0.52) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL31692784 0.82 FURIN (0.59) CA1CA2ALDH1A1SMN1; SMN2CES2
SCHEMBL14828358 0.80 ALDH1A1 (0.54) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL5666851 0.80 SMN1; SMN2 (0.65) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL10235374 0.80 ALDH1A1 (0.54) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL30322657 0.80 SMN1; SMN2 (0.65) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL6811219 0.78 MAPT (0.57) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL6811223 0.78 MAPT (0.57) CA1CA2PARP10ALDH1A1SMN1; SMN2
SCHEMBL24105687 0.77 NOS3 (0.64) ALDH1A1SMN1; SMN2PRSS1NOS3CES2
SCHEMBL30693347 0.77 ALDH1A1 (0.53) CA1CA2PARP10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199920-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2015-12-01 US claimed
US-8492434-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES INC. (US) 2013-07-23 US claimed
US-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection Siga Technologies, Inc, (US) 2013-06-27 US claimed
US-8492434-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES INC. (US) 2013-07-23 US disclosed
US-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection Siga Technologies, Inc, (US) 2013-06-27 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-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection GK, ZC3HAV1, GALK1 CA1 4748/4885CA2 4535/4885PARP10 4007/4885

“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.