SCHEMBL622937

SCHEMBL622937

CN1C(=N)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.64
INSR P06213 1/20 0.61
IGF1R P08069 1/20 0.61
GSK3A P49840 3/20 0.59
GSK3B P49841 3/20 0.59
MAPT P10636 8/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 4/20 0.58
POLB P06746 4/20 0.58
NSD2 O96028 2/20 0.58
MCL1 Q07820 1/20 0.58
HTRA2 O43464 1/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
PKM P14618 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL622938 1.00 CDK2 (0.64) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL16491204 0.87 MAPT (0.65) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL3894596 0.87 MAPT (0.65) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL3894593 0.87 MAPT (0.65) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL10669182 0.79 KMT2A (0.54) MAPTALDH1A1HPGDPOLBNSD2
SCHEMBL10669179 0.79 KMT2A (0.54) MAPTALDH1A1HPGDPOLBNSD2
SCHEMBL3135207 0.78 TNFRSF1A (0.68) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL3135211 0.78 TNFRSF1A (0.68) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL3135217 0.78 TNFRSF1A (0.68) CDK2INSRIGF1RGSK3AGSK3B
SCHEMBL12505114 0.78 CDK2 (1.00) CDK2INSRIGF1RGSK3AGSK3B

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-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT CDK2 960/4885INSR 4125/4885IGF1R 4789/4885
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT CDK2 960/4885INSR 4125/4885IGF1R 4789/4885

“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.