SCHEMBL14925314

SCHEMBL14925314

CCNCc1cn(CCOS(=O)(=O)c2ccc(C)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 5/20 0.51
▸ MMP9 P14780 5/20 0.51
▸ MMP8 P22894 5/20 0.51
▸ MMP13 P45452 5/20 0.51
▸ PSMD10 O75832 1/20 0.45
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL14924261 0.88 MMP2 (0.49) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL14043068 0.75 MMP2 (0.46) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL943760 0.75 CA12 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL941807 0.74 MMP2 (0.43) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL16511356 0.72 PSMD10 (0.51) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL16510904 0.72 PSMD10 (0.49) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL14219017 0.72 ALDH1A1 (0.47) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL6647468 0.70 CA1 (0.41) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL4592604 0.70 MMP2 (0.39) MMP2MMP9MMP8MMP13PSMD10
SCHEMBL17032632 0.69 MMP2 (0.40) MMP2MMP9MMP8MMP13PSMD10

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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 — — 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 MMP2 2099/4885MMP9 3871/4885MMP8 3612/4885

“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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