SCHEMBL13600085

SCHEMBL13600085

Cc1nn(-c2cccnn2)c(C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 2/20 0.36
CYP1A2 P05177 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
CYP17A1 P05093 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL123248 0.80 ALDH1A1 (0.52) HTTLMNAMAPK1ALOX15MAPT
SCHEMBL25823072 0.76 ALDH1A1 (0.43) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL13607159 0.75 LMNA (0.47) LMNAMEN1KMT2ACYP1A2MAPT
SCHEMBL13600093 0.72 HTT (0.35) HTTLMNAALOX15CYP1A2MAPT
SCHEMBL1779819 0.72 HTT (0.64) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL3320644 0.72 HTT (0.44) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL3321050 0.71 HTT (0.47) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL13600097 0.71 CCNA2 (0.41) HTTLMNAMEN1KMT2AALOX15
SCHEMBL17670423 0.71 HTT (0.38) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL25823074 0.68 IRAK4 (0.33) CYP1A2CYP17A1

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-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 HTT 2169/4885LMNA 4587/4885MAPK1 1178/4885

“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.