SCHEMBL25737034

SCHEMBL25737034

CN(C)C/C=C/C(=O)Nc1ccc2oc(=O)n(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.43
▸ ERBB2 P04626 2/20 0.43
▸ PIP4K2A P48426 4/20 0.41
▸ PIP4K2B P78356 4/20 0.41
▸ KDR P35968 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ FGFR1 P11362 3/20 0.40
▸ FGFR2 P21802 3/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ ITK Q08881 3/20 0.39
▸ BTK Q06187 3/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 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
SCHEMBL25737029 0.78 PPARG (0.45) FGFR1
SCHEMBL20764166 0.70 CDK14 (0.47) EGFRERBB2PIP4K2APIP4K2BBRD4
SCHEMBL16665103 0.70 NMT1 (0.58) EGFRPIP4K2APIP4K2BITK
SCHEMBL13067824 0.69 EGFR (0.47) EGFRERBB2PIP4K2APIP4K2BKDR
SCHEMBL13389249 0.69 EGFR (0.55) EGFRERBB2PIP4K2APIP4K2BITK
SCHEMBL16095359 0.69 MAOB (0.58) EGFRERBB2PIP4K2APIP4K2BACKR3
SCHEMBL16095361 0.69 MAOB (0.58) EGFRERBB2PIP4K2APIP4K2BACKR3
SCHEMBL16665163 0.69 ITK (0.64) EGFRERBB2PIP4K2APIP4K2BACKR3
SCHEMBL23336402 0.68 CDK14 (0.46) EGFRERBB2PIP4K2APIP4K2BKDR
SCHEMBL17141876 0.68 PIP4K2A (0.50) EGFRPIP4K2APIP4K2BITKJAK3

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 EGFR 220/4885ERBB2 1/4885PIP4K2A 497/4885

“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.

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