SCHEMBL5012780

SCHEMBL5012780

COc1cnc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP2A6 P11509 1/20 0.44
AURKA O14965 2/20 0.43
SLC40A1 Q9NP59 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
RIPK1 Q13546 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL38652754 0.85 ACP1 (0.39) CYP1A2RAB9ANPC1RIPK1TDP1
SCHEMBL5009546 0.82 CYP11B1 (0.48) SLC40A1KMT2AMEN1TDP1CYP19A1
SCHEMBL30492598 0.82 CCR1 (0.62) CYP1A2RAB9ANPC1CYP2A6SLC40A1
SCHEMBL6356302 0.82 CCR1 (0.62) CYP1A2RAB9ANPC1CYP2A6SLC40A1
SCHEMBL18796126 0.79 RIPK1 (0.47) RAB9ANPC1RIPK1TDP1CYP11B1
SCHEMBL14686182 0.76 ACP1 (0.43) CYP1A2KMT2AMEN1TDP1HSP90AA1
SCHEMBL3901042 0.75 PDGFRB (0.59) PDGFRBPDGFRAAURKA
SCHEMBL2619133 0.75 CCR1 (0.67) CYP1A2SLC40A1KDM4EALDH1A1
SCHEMBL30492638 0.74 RELA (0.52) CYP1A2RAB9ANPC1CYP2A6CYP11B1
SCHEMBL6347577 0.74 RELA (0.52) CYP1A2RAB9ANPC1CYP2A6CYP11B1

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-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CYP1A2 502/4885RAB9A 2242/4885NPC1 16/4885

“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.