SCHEMBL1454599

SCHEMBL1454599

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C(=O)Nc3ccc(Br)cc3)cc2Nc2ncnc3nc(C(C)(C)C)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
PRMT1 Q99873 1/20 0.38
EGFR P00533 2/20 0.36
AURKB Q96GD4 2/20 0.36
RAF1 P04049 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CDK1 P06493 1/20 0.36
AURKA O14965 1/20 0.36
SRC P12931 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL1453952 0.92 PIM1 (0.49) KDRPIM1AKT2PRMT1EGFR
SCHEMBL1455721 0.90 KDR (0.42) KDRPIM1AKT2EGFRABL1
SCHEMBL1455204 0.90 KDM4E (0.41) KDRPIM1AKT2PRMT1EGFR
SCHEMBL1454594 0.90 KDR (0.40) KDRPIM1AKT2EGFRAURKB
SCHEMBL1455418 0.89 PRMT1 (0.40) KDRPIM1AKT2PRMT1EGFR
SCHEMBL1717038 0.86 MAPK1 (0.40) PIM1AKT2PRMT1AURKBCDK1
SCHEMBL1717034 0.86 MAPK1 (0.40) PIM1AKT2PRMT1AURKBCDK1
SCHEMBL1455346 0.86 PIM1 (0.48) KDRPIM1AKT2EGFRAURKB
SCHEMBL2427495 0.85 PIM1 (0.38) PIM1AKT2PRMT1EGFRAURKB
SCHEMBL1455058 0.85 KDR (0.39) KDRPIM1AKT2PRMT1AURKB

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDR 3293/4885PIM1 2963/4885AKT2 3903/4885

“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.