SCHEMBL27038643

SCHEMBL27038643

COc1cnc(Br)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 7/20 0.43
ERBB2 P04626 6/20 0.42
GAK O14976 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
AR P10275 3/20 0.39
SRC P12931 3/20 0.39
HPGDS O60760 1/20 0.37

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
SCHEMBL20168375 0.85 EGFR (0.44) ALDH1A1KDM4EUSP2EGFRERBB2
SCHEMBL31395132 0.81 XDH (0.46) P2RX3P2RX2SRC
SCHEMBL29620984 0.78 MAOB (0.50)
SCHEMBL22925872 0.78 MAOB (0.50)
SCHEMBL31435335 0.78 KDM4E (0.44) ALDH1A1KDM4EUSP2EGFRERBB2
SCHEMBL23976562 0.76 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL1404661 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2EGFRERBB2
SCHEMBL25404796 0.75 PIN1 (0.46) ALDH1A1KDM4E
SCHEMBL31390132 0.74 AXL (0.43) ALDH1A1P2RX3P2RX2
SCHEMBL17310145 0.74 AXL (0.43) ALDH1A1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO 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-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 ALDH1A1 4807/4885KDM4E 623/4885USP2 1555/4885

“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.