SCHEMBL671495

SCHEMBL671495

O=c1[nH]c2ncccc2cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.65
RIPK1 Q13546 10/20 0.50
AURKA O14965 2/20 0.47
PARP1 P09874 1/20 0.47
AURKB Q96GD4 1/20 0.45
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL435130 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCR1
SCHEMBL15528142 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL21226786 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL3714541 0.79 DAO (1.00) DAORIPK1AURKAPARP1
SCHEMBL29756947 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCR1
SCHEMBL1574005 0.79 DAO (0.65) DAORIPK1AURKAPARP1AURKB
SCHEMBL668758 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL9696059 0.78 DAO (0.59) DAORIPK1AURKAPARP1CCNB2
SCHEMBL745278 0.77 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL22185856 0.76 DAO (0.61) DAORIPK1AURKAPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104902895-A Dihydronaphthyridines and related compounds useful as kinase inhibitors for the treatment of proliferative diseases FLYNN DANIEL L 2015-09-09 CN disclosed
US-9073920-B2 Substituted dibenzonaphthyridines, pharmaceutical uses thereof and processes therfor PURDUE RESEARCH FOUNDATION (US) 2015-07-07 US disclosed
US-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2013-06-06 US disclosed
WO-2012024437-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2012-02-23 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-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR KRAS, QDPR, BTD DAO 2376/4885RIPK1 3656/4885AURKA 695/4885

“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.