SCHEMBL3605654

SCHEMBL3605654

COc1ncccc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.65
BCR P11274 3/20 0.65
PRKCA P17252 3/20 0.65
EGFR P00533 1/20 0.64
SRC P12931 1/20 0.64
CDK2 P24941 8/20 0.61
CDK4 P11802 7/20 0.61
GSK3B P49841 3/20 0.61
SLC2A1 P11166 1/20 0.61
CDK9 P50750 5/20 0.56
CCNT1 O60563 4/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNA2 P20248 2/20 0.56
CDK7 P50613 2/20 0.56
CCNH P51946 2/20 0.56
AURKA O14965 2/20 0.56
CDK5 Q00535 2/20 0.56
AURKB Q96GD4 2/20 0.56
CCNB2 O95067 1/20 0.56

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
SCHEMBL3617309 0.88 PIK3CA (0.64) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733401 0.82 ABL1 (0.60) ABL1BCRPRKCAEGFRSRC
SCHEMBL4733655 0.81 PIK3CG (0.76) ABL1BCRPRKCAEGFRSRC
SCHEMBL3609139 0.81 PIK3CG (0.55) ABL1BCRPRKCAEGFRSRC
SCHEMBL4736155 0.80 ABL1 (0.71) ABL1BCRPRKCAEGFRSRC
SCHEMBL3596098 0.80 CDK9 (0.76) ABL1CDK2CDK4GSK3BSLC2A1
SCHEMBL3614099 0.80 ABL1 (0.63) ABL1BCRPRKCASRCGSK3B
SCHEMBL3598695 0.80 JAK2 (0.56) ABL1BCRPRKCAEGFRSRC
SCHEMBL4734534 0.79 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC
SCHEMBL3607096 0.79 CDK9 (0.62) ABL1CDK2GSK3BSLC2A1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885BCR 3115/4885PRKCA 4612/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 ABL1 4392/4885BCR 3687/4885PRKCA 2106/4885

“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.