SCHEMBL25735908

SCHEMBL25735908

CN(C)C/C=C/C(=O)Nc1ccc2c(c1)N(C)C(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ ACKR3 P25106 1/20 0.41
▸ EGFR P00533 9/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ PIP4K2A P48426 3/20 0.39
▸ PIP4K2B P78356 3/20 0.39
▸ KDR P35968 1/20 0.39
▸ ITK Q08881 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CCNH P51946 2/20 0.39
▸ MNAT1 P51948 2/20 0.39
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ CDK14 O94921 1/20 0.38
▸ CCNY Q8ND76 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
SCHEMBL25735905 0.79 NOX1 (0.49) —
SCHEMBL31335904 0.71 MELK (0.50) ITKBTK
SCHEMBL31336083 0.71 KDM4E (0.46) ACKR3EGFRERBB2PIP4K2APIP4K2B
Hydrochloric Acid SCHEMBL31335956 0.70 ITGB3 (0.50) —
SCHEMBL16665103 0.70 NMT1 (0.58) EGFRPIP4K2APIP4K2BITKCDK14
SCHEMBL20764166 0.70 CDK14 (0.47) BRD4EGFRERBB2PIP4K2APIP4K2B
SCHEMBL23432509 0.70 PKM (0.44) —
SCHEMBL13067824 0.69 EGFR (0.47) EGFRERBB2PIP4K2APIP4K2BKDR
SCHEMBL13389249 0.69 EGFR (0.55) EGFRERBB2PIP4K2APIP4K2BITK
SCHEMBL16665163 0.69 ITK (0.64) ACKR3EGFRERBB2PIP4K2APIP4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 BRD4 2517/4885ACKR3 2105/4885EGFR 220/4885

“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.

Send feedback