SCHEMBL2796953

SCHEMBL2796953

Oc1nc2ncncc2c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
PIK3CG P48736 1/20 0.36
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
CYP11B1 P15538 1/20 0.32
TRPM4 Q8TD43 1/20 0.31
TDO2 P48775 2/20 0.31
GPR3 P46089 1/20 0.31
NPY5R Q15761 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL2800678 0.75 IDO1 (0.41) METAP2METAP1PDE5AKDM4E
SCHEMBL18099789 0.73 KDM4E (0.50) EGFRMETAP2METAP1PDE5AKDM4E
SCHEMBL28605609 0.68 KDM4E (0.44) EGFRKDM4EHTTPOLBRAD52
SCHEMBL30362637 0.68 ACHE (0.57) EGFRKDM4EHTTPOLBRAD52
SCHEMBL28614688 0.68 ACHE (0.57) EGFRKDM4EHTTPOLBRAD52
SCHEMBL31719610 0.67 EGFR (0.41) EGFRKDM4EHTTPOLBRAD52
SCHEMBL30369441 0.67 EGFR (0.41) EGFRKDM4EHTTPOLBRAD52
SCHEMBL1869156 0.67 EGFR (0.41) EGFRKDM4EHTTPOLBRAD52
SCHEMBL9431285 0.67 PIK3CG (0.32) PIK3CG
SCHEMBL10916482 0.67 ESR1 (0.47) EGFRPIK3CGKDM4EHTTPOLB

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-8232246-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
US-20100168384-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 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-20100168384-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS EGFR 3789/4885PIK3CG 2134/4885METAP2 1801/4885

“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.