SCHEMBL25561916

SCHEMBL25561916

CN1CCN(C2CCN(c3ccc(Nc4nc(N[C@H]5C[C@H](O)C5)c(-c5ccccc5)nc4C(N)=O)cc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 15/20 0.67
▸ ROS1 P08922 15/20 0.67
▸ FLT3 P36888 15/20 0.67
▸ EML4 Q9HC35 12/20 0.67
▸ ALK Q9UM73 12/20 0.67
▸ EGFR P00533 1/20 0.53

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
SCHEMBL25561913 1.00 RET (0.67) RETROS1FLT3EML4ALK
SCHEMBL25562076 0.95 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL25562071 0.95 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL25562075 0.95 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL25562073 0.95 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL25562072 0.95 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL25562082 0.94 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL25562083 0.94 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL25562077 0.94 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL25562836 0.94 RET (0.76) RETROS1FLT3EML4ALK

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-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 — — US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 — — 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-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 RET 22/4885ROS1 31/4885FLT3 98/4885

“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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