SCHEMBL4557246

SCHEMBL4557246

CC(C)Oc1ccc(Nc2cc(Nc3ccc4cnn(CCCO)c4c3)ncc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.64
P2RX3 P56373 4/20 0.38
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNT1 O60563 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK6 Q00534 1/20 0.36
IDH1 O75874 3/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE9A O76083 1/20 0.35
MCHR1 Q99705 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL656909 0.85 SYK (0.87) SYK
SCHEMBL4557248 0.79 SYK (0.46) SYKP2RX3CCNA2CDK2CDK5
SCHEMBL31294114 0.78 SYK (1.00) SYK
SCHEMBL656677 0.78 SYK (1.00) SYK
SCHEMBL3881309 0.76 SYK (0.73) SYKCDK2MAPK1
SCHEMBL655496 0.73 SYK (0.88) SYKCDK2CDK5
SCHEMBL655378 0.73 SYK (0.90) SYK
SCHEMBL657832 0.71 SYK (0.67) SYK
SCHEMBL656425 0.70 SYK (0.75) SYKCDK2CDK5
SCHEMBL14566616 0.69 SYK (0.51) SYKMCHR1

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 251/4885P2RX3 215/4885CCNA2 1964/4885

“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.