SCHEMBL4557248

SCHEMBL4557248

CC(C)Oc1ccc(Nc2cc(Nc3ccc4c(c3)N(CCCO)NC4)ncc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
JAK2 O60674 3/20 0.36
FLT3 P36888 3/20 0.36
P2RX3 P56373 4/20 0.35
CCNT1 O60563 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK6 Q00534 1/20 0.35
IDH1 O75874 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MAPK14 Q16539 2/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL656910 0.84 SYK (0.66) SYKJAK2FLT3
SCHEMBL4557246 0.79 SYK (0.64) SYKCCNA2CDK2CDK5CDK5R1
SCHEMBL656678 0.77 SYK (0.66) SYK
SCHEMBL3881318 0.75 SYK (0.47) SYKCDK2JAK2P2RX3
SCHEMBL655379 0.73 SYK (0.61) SYK
SCHEMBL657833 0.73 SYK (0.58) SYKJAK2
SCHEMBL656426 0.72 SYK (0.61) SYKCDK2CDK5JAK2FLT3
SCHEMBL18632607 0.70 SYK (0.55) SYKCDK2CCNT1CDK9
SCHEMBL657309 0.67 SYK (0.69) SYKCDK2CDK5JAK2FLT3
SCHEMBL2103396 0.67 BCL6 (0.49) SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557210-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 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-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT SYK 251/4885CCNA2 1964/4885CDK2 515/4885

“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.