SCHEMBL26310066

SCHEMBL26310066

Cc1cc(Nc2cccc([N+](=O)[O-])c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.58
ABL1 P00519 4/20 0.53
BCR P11274 3/20 0.53
PRKCA P17252 3/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
ABCC1 P33527 1/20 0.53
CDK2 P24941 5/20 0.53
KMT2A Q03164 4/20 0.52
PTK6 Q13882 2/20 0.52
EGFR P00533 1/20 0.52
SRC P12931 1/20 0.52
CDK4 P11802 4/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
KCNH2 Q12809 1/20 0.51
CCNT1 O60563 2/20 0.51
CDK1 P06493 2/20 0.51

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
SCHEMBL25826396 0.85 HPGD (0.53) ROCK1ABCG2ABCC1CDK2KMT2A
SCHEMBL25822189 0.84 BRAF (0.70) KMT2AALDH1A1RAB9AMEN1MAPT
SCHEMBL1460401 0.82 ROCK1 (0.58) ROCK1ABL1BCRPRKCAABCG2
SCHEMBL26310123 0.82 ROCK1 (0.58) ROCK1ABL1BCRPRKCAABCG2
SCHEMBL394734 0.82 KMT2A (0.67) ROCK1ABCG2KMT2AALDH1A1RAB9A
SCHEMBL1883622 0.81 ABL1 (0.61) ROCK1ABL1BCRPRKCAABCG2
SCHEMBL17364440 0.80 TSHR (0.70) ABCG2ABCC1KMT2AALDH1A1RAB9A
SCHEMBL9243623 0.78 KMT2A (0.59) ABCG2ABCC1KMT2AALDH1A1RAB9A
SCHEMBL2285411 0.78 ABL1 (0.69) ROCK1ABL1BCRPRKCAABCG2
SCHEMBL26310114 0.78 ROCK1 (0.52) ROCK1ABL1BCRPRKCAABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ROCK1 1600/4885ABL1 1240/4885BCR 2966/4885

“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.