SCHEMBL3449683

SCHEMBL3449683

CN1CCN(CCNc2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.62
STK17A Q9UEE5 5/20 0.54
STK17B O94768 3/20 0.54
TBK1 Q9UHD2 1/20 0.49
EGFR P00533 6/20 0.48
MAP3K8 P41279 1/20 0.47
FGFR1 P11362 1/20 0.47
NTRK1 P04629 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3449182 0.90 STK17A (0.52) AXLSTK17ASTK17BTBK1EGFR
SCHEMBL3447547 0.90 EGFR (0.58) AXLSTK17ASTK17BEGFRMAP3K8
SCHEMBL3448511 0.84 STK17A (0.55) AXLSTK17ASTK17BTBK1MAP3K8
SCHEMBL3449758 0.84 STK17A (0.56) AXLSTK17ASTK17BTBK1EGFR
SCHEMBL3448855 0.84 STK17A (0.62) AXLSTK17ASTK17B
SCHEMBL3450582 0.81 STK17A (0.59) AXLSTK17ASTK17BTBK1
SCHEMBL3448261 0.81 STK17A (0.59) AXLSTK17ASTK17B
SCHEMBL3448968 0.81 STK17A (0.54) AXLSTK17ASTK17BTBK1EGFR
SCHEMBL3450011 0.80 STK17A (0.53) AXLSTK17ASTK17BTBK1EGFR
SCHEMBL3449451 0.80 AXL (0.57) AXLEGFR

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
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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD AXL 2812/4885STK17A 1984/4885STK17B 2457/4885

“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.