SCHEMBL2810511

SCHEMBL2810511

c1nc(N2CCCC2)nc2c1CNC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ HRH1 P35367 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR3A P46098 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL2806475 0.87 POLB (0.57) SMN1; SMN2POLBALDH1A1USP2MAPK1
SCHEMBL2807505 0.85 POLB (0.56) SMN1; SMN2POLBALDH1A1USP2MAPK1
SCHEMBL22720338 0.76 SMN1; SMN2 (0.76) SMN1; SMN2POLBHRH1ALDH1A1USP2
SCHEMBL24421152 0.73 POLB (0.41) SMN1; SMN2POLB
SCHEMBL1020021 0.73 POLB (0.72) SMN1; SMN2POLBALDH1A1MAPK1TSHR
SCHEMBL15882837 0.72 SMN1; SMN2 (0.40) SMN1; SMN2POLBHRH1ALDH1A1USP2
SCHEMBL30118102 0.72 POLB (0.35) SMN1; SMN2POLB
SCHEMBL4077172 0.70 POLB (0.67) SMN1; SMN2POLBALDH1A1USP2CASP1
SCHEMBL8898686 0.70 SMN1; SMN2 (0.54) SMN1; SMN2POLBHRH1ALDH1A1USP2
SCHEMBL25677916 0.70 HTR2C (0.56) SMN1; SMN2POLBHRH1ALDH1A1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 — — US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 — — EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 — — WO 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 SMN1; SMN2 4331/4885POLB 1368/4885HRH1 4052/4885

“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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