SCHEMBL10156965

SCHEMBL10156965

CCc1ncc(Nc2ccc(N3CCC(N4CCN(S(C)(=O)=O)CC4)CC3)cc2OC)nc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 11/20 0.62
▸ EML4 Q9HC35 4/20 0.62
▸ TTK P33981 5/20 0.54
▸ IGF1R P08069 2/20 0.48
▸ RET P07949 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ EGFR P00533 3/20 0.46

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
SCHEMBL10156861 0.90 ALK (0.73) ALKEML4TTKIGF1RRET
SCHEMBL10129301 0.86 ALK (0.84) ALKEML4IGF1RRETROS1
SCHEMBL10156896 0.82 ALK (0.61) ALKEML4TTKIGF1RRET
SCHEMBL10156955 0.82 ALK (0.61) ALKEML4IGF1RRETROS1
SCHEMBL282104 0.77 EML4 (1.00) ALKEML4RETROS1FLT3
SCHEMBL282103 0.77 EML4 (1.00) ALKEML4RETROS1FLT3
SCHEMBL10156298 0.75 ALK (0.77) ALKEML4IGF1RRETROS1
SCHEMBL10129251 0.75 ALK (0.77) ALKEML4IGF1RRETROS1
SCHEMBL10126771 0.75 ALK (0.63) ALKEML4IGF1RRETROS1
SCHEMBL10129248 0.74 ALK (0.85) ALKEML4RETROS1FLT3

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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALK 2/4885EML4 1/4885TTK 954/4885

“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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