SCHEMBL3521876

SCHEMBL3521876

Cc1nc(N(N)C(N)=O)no1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
PLK1 P53350 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27388402 0.71 ALDH1A1 (0.33)
SCHEMBL27516094 0.67 LMNA (0.50) POLB
SCHEMBL11551529 0.67 HTT (0.50) POLBRECQLPLK1CA12CA1
SCHEMBL28075174 0.64
SCHEMBL28193378 0.64 CYP1A2 (0.32)
SCHEMBL3526212 0.64 HCAR2 (0.44) POLB
SCHEMBL14152632 0.63 PLK1 (0.37) POLBRECQLPLK1CA12CA1
SCHEMBL28062348 0.63 ALDH1A1 (0.36)
SCHEMBL14152264 0.63 POLB (0.41) POLBRECQLPLK1CA12CA1
SCHEMBL27386557 0.63

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-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 POLB 3367/4885RECQL 1344/4885PLK1 2366/4885

“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.