SCHEMBL3450587

SCHEMBL3450587

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.51
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
ALK Q9UM73 5/20 0.46
DYRK2 Q92630 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
GALR2 O43603 1/20 0.44
GALR1 P47211 1/20 0.44
MAPT P10636 3/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
CNR1 P21554 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL3449787 0.87 ALK (0.54) CCNA2CDK2CDK9ALKABL1
SCHEMBL13348309 0.87 SYK (0.44) ALKABL1BCRAXLEGFR
SCHEMBL3448334 0.85 ABL1 (0.46) ALKABL1BCRJAK2AXL
SCHEMBL3450288 0.84 ABL1 (0.46) ALKABL1BCRJAK2JAK1
SCHEMBL3449451 0.82 AXL (0.57) ALKAXLEGFR
SCHEMBL3452720 0.81 MAPK1 (0.51) GALR2JAK3AXLSMN1; SMN2EGFR
SCHEMBL3449764 0.81 MAPK1 (0.51) GALR2AXLSMN1; SMN2EGFR
SCHEMBL3448492 0.80 MALT1 (0.53) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL3449638 0.80 MAPK1 (0.50) CCNA2CDK2GALR2JAK3AXL
SCHEMBL3450023 0.80 MAPK1 (0.50) CCNA2CDK2GALR2JAK3AXL

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 CCND3 1452/4885CCNK 2203/4885CCNA2 2409/4885

“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.