SCHEMBL11922643

SCHEMBL11922643

Cc1nn(C)c(C(C)C)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GALR3 O60755 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
APAF1 O14727 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
CSNK2A1 P68400 3/20 0.31
IKBKB O14920 1/20 0.31
IKBKE Q14164 1/20 0.31
TP53 P04637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL29249597 0.77 CSNK2A1 (0.31) CSNK2A1
SCHEMBL2738299 0.76 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL12368462 0.74 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL23400339 0.73 ADORA2A (0.35) ADORA2AADORA2B
SCHEMBL13341968 0.72 MAPT (0.42) HTTSMN1; SMN2KDM4EMAPTLMNA
SCHEMBL12572960 0.71 POLB (0.33) MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL19635554 0.71 CSNK2A1 (0.38) CSNK2A1
SCHEMBL30615 0.70
SCHEMBL38663901 0.70
SCHEMBL22667104 0.69 APAF1 (0.41) HTTMAPTLMNAAPAF1CSNK2A1

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-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E HTT 3301/4885SMN1; SMN2 4053/4885KDM4E 3158/4885

“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.