SCHEMBL21050878

SCHEMBL21050878

Cc1nc2c(Cl)c([N+](=O)[O-])cnc2c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIN1 Q13526 11/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21050866 0.82 CYP1A2 (0.38) CYP1A2ALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL25334109 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL21050736 0.75 CYP1A2 (0.44) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL21050782 0.75 CYP1A2 (0.41) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL25795346 0.74 CYP1A2 (0.52) CYP1A2ALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL3590495 0.74 TDP1 (0.41) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL109594 0.71 CYP1A2 (0.49) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL31093759 0.71 CYP1A2 (0.41) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1
SCHEMBL5250298 0.71 PIN1 (0.39) CYP1A2ALDH1A1PIN1TDP1MEN1
SCHEMBL28818247 0.71 TDP1 (0.41) CYP1A2ALDH1A1SMN1; SMN2PIN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 CYP1A2 106/4885ALDH1A1 26/4885SMN1; SMN2 576/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 CYP1A2 106/4885ALDH1A1 26/4885SMN1; SMN2 576/4885

“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.