SCHEMBL3448902

SCHEMBL3448902

Cc1cccc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
PTK2 Q05397 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
IDH1 O75874 2/20 0.41
SYK P43405 3/20 0.40
GRM5 P41594 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
CDK4 P11802 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
NFKB1 P19838 1/20 0.38

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
SCHEMBL3373080 0.90 NPC1 (0.46) IDH1SYKNPC1MAPTMBOAT4
SCHEMBL3448088 0.88 TBK1 (0.44) IDH1SYKGRM5CDK4
SCHEMBL3373625 0.88 MAPT (0.48) CDK1SYKGRM5MAPT
SCHEMBL3448046 0.87 IDH1 (0.48) IDH1SYKNPC1MAPTMBOAT4
SCHEMBL3450285 0.85 SYK (0.52) AURKACDK2CCNA2PTK2SYK
SCHEMBL3450149 0.85 SYK (0.50) CDK2PTK2IDH1SYKGRM5
SCHEMBL3377791 0.84 IGF1R (0.42) CDK2IDH1SYKNPC1MAPT
SCHEMBL3450241 0.83 AURKA (0.46) AURKACDK1CDK2CCNB1CCNA2
SCHEMBL3450568 0.83 SYK (0.52) AURKAPTK2SYK
SCHEMBL3448068 0.82 CDK4 (0.40) CDK2IDH1SYKNPC1MAPT

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 AURKA 3990/4885CDK1 1871/4885CDK2 2258/4885

“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.