SCHEMBL3449787

SCHEMBL3449787

CC(=O)N1CCN(c2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.54
SYK P43405 3/20 0.51
EGFR P00533 5/20 0.49
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
CTSC P53634 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 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
SCHEMBL3448334 0.90 ABL1 (0.46) ALKSYKEGFRABL1BCR
SCHEMBL3450288 0.89 ABL1 (0.46) ALKSYKEGFRABL1BCR
SCHEMBL13348309 0.88 SYK (0.44) ALKSYKEGFRABL1BCR
SCHEMBL3450587 0.87 CCND3 (0.51) ALKSYKEGFRABL1BCR
SCHEMBL3449451 0.87 AXL (0.57) ALKEGFRCTSC
SCHEMBL3452720 0.85 MAPK1 (0.51) EGFR
SCHEMBL3449764 0.85 MAPK1 (0.51) EGFR
SCHEMBL3450611 0.85 SYK (0.46) SYKEGFR
SCHEMBL3450023 0.84 MAPK1 (0.50) EGFRCCNA2CDK2
SCHEMBL3449638 0.84 MAPK1 (0.50) EGFRCCNA2CDK2

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 ALK 3205/4885SYK 804/4885EGFR 2771/4885

“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.