SCHEMBL25569694

SCHEMBL25569694

CC(C)Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c(C(N)O)nc1-c1cc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 10/20 0.47
▸ ROS1 P08922 10/20 0.47
▸ FLT3 P36888 10/20 0.47
▸ ALK Q9UM73 7/20 0.47
▸ EML4 Q9HC35 5/20 0.47
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ EGFR P00533 3/20 0.38
▸ SYK P43405 1/20 0.38
▸ PTK2 Q05397 2/20 0.37
▸ INSR P06213 2/20 0.37
▸ IGF1R P08069 2/20 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
SCHEMBL25562707 0.87 RET (0.59) RETROS1FLT3ALKEML4
SCHEMBL25573690 0.82 RET (0.43) RETROS1FLT3ALKEML4
SCHEMBL25573679 0.82 RET (0.45) RETROS1FLT3ALKEML4
SCHEMBL25573703 0.81 RET (0.45) RETROS1FLT3ALKEML4
SCHEMBL25573721 0.81 RET (0.43) RETROS1FLT3ALKEML4
SCHEMBL25573697 0.80 RET (0.45) RETROS1FLT3ALKEML4
SCHEMBL25573714 0.80 RET (0.44) RETROS1FLT3ALKEML4
SCHEMBL25569729 0.78 EML4 (0.40) RETROS1FLT3ALKEML4
SCHEMBL25562720 0.77 EML4 (0.67) RETROS1FLT3ALKEML4
SCHEMBL25562778 0.75 EML4 (0.56) RETROS1FLT3ALKEML4

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-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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