SCHEMBL21226786

SCHEMBL21226786

O=c1[nH]c2ncccc2cc1I

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.65
AURKA O14965 1/20 0.47
PARP1 P09874 1/20 0.47
RIPK1 Q13546 12/20 0.45
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL671495 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL29756947 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL15528142 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL1574005 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL3714541 0.79 DAO (1.00) DAOAURKAPARP1RIPK1
SCHEMBL668758 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL435130 0.79 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL13906225 0.78 DAO (0.59) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL575029 0.77 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL22185856 0.76 DAO (0.61) DAOAURKAPARP1RIPK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236130-B2 Divalent nucleobase compounds and uses therefor CARNEGIE MELLON UNIVERSITY (US) 2022-02-01 US disclosed
US-20200340044-A1 Template-Directed Nucleic Acid Targeting Compounds CARNEGIE MELLON UNIVERSITY 2020-10-29 US disclosed
US-10370415-B2 Divalent nucleobase compounds and uses therefor CARNEGIE MELLON UNIVERSITY (US) 2019-08-06 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 (3 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-11236130-B2 Divalent nucleobase compounds and uses therefor DNTT, PNKP, GNA11 DAO 3629/4885AURKA 3045/4885PARP1 195/4885
US-20200340044-A1 Template-Directed Nucleic Acid Targeting Compounds TARDBP, HTT, TRDMT1 DAO 1278/4885AURKA 1874/4885PARP1 677/4885
US-10370415-B2 Divalent nucleobase compounds and uses therefor DNTT, POLM, POLL DAO 2547/4885AURKA 3051/4885PARP1 188/4885

“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.