SCHEMBL3449490

SCHEMBL3449490

CC(C)OCCNc1nc(Nc2ccc(F)c(Cl)c2)ncc1Br

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 15/20 0.57
STK17B O94768 10/20 0.57
NTRK1 P04629 1/20 0.46
BCL6 P41182 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
AXL P30530 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL3450582 0.90 STK17A (0.59) STK17ASTK17BBCL6TBK1AXL
SCHEMBL3448855 0.86 STK17A (0.62) STK17ASTK17BBCL6AXL
SCHEMBL3448215 0.86 STK17A (0.62) STK17ASTK17BBCL6TBK1
SCHEMBL3450885 0.85 STK17A (0.56) STK17ASTK17BTBK1
SCHEMBL13310840 0.84 STK17A (0.52) STK17ASTK17BNTRK1BCL6NCOR2
SCHEMBL3448261 0.83 STK17A (0.59) STK17ASTK17BAXL
SCHEMBL3447158 0.82 STK17A (0.62) STK17ASTK17BBCL6TBK1
SCHEMBL3458921 0.82 CDK1 (0.57) STK17ASTK17BBCL6AXL
SCHEMBL3449022 0.81 STK17A (0.59) STK17ASTK17BTBK1
SCHEMBL3450739 0.80 STK17A (0.50) STK17ASTK17BBCL6NCOR2TBK1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17A 1984/4885STK17B 2457/4885NTRK1 4774/4885

“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.