SCHEMBL13183643

SCHEMBL13183643

Cc1cn(-c2ccc(C(C)C)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 11/20 0.52
NOTUM Q6P988 3/20 0.51
AMY1A P0DUB6 1/20 0.41
KCNH2 Q12809 1/20 0.40
S1PR1 P21453 1/20 0.39
FLT3 P36888 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL21623941 0.84 NOTUM (0.40) ESRRANOTUMFLT3
SCHEMBL13160180 0.81 NOTUM (0.51) ESRRANOTUMAMY1AKCNH2
SCHEMBL14611001 0.81 NOTUM (0.56) NOTUMKCNH2FLT3
SCHEMBL3753945 0.81 ESRRA (0.47) ESRRANOTUMFLT3
SCHEMBL13183572 0.80 NOTUM (0.59) NOTUMFLT3
SCHEMBL25043773 0.80 NOTUM (0.38) ESRRANOTUMFLT3
SCHEMBL25494290 0.77 ESRRA (0.48) ESRRANOTUMAMY1AFLT3
SCHEMBL12179482 0.77 MIF (0.53) ESRRANOTUM
SCHEMBL2683483 0.77 FLT3 (0.50) NOTUMFLT3
SCHEMBL2629357 0.76 P2RX7 (0.55) ESRRANOTUMFLT3

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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS ESRRA 3494/4885NOTUM 961/4885AMY1A 4332/4885

“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.