SCHEMBL2970775

SCHEMBL2970775

CC(=O)Nc1ccc(Sc2ccc(Br)cc2Nc2ccnc3nc(C)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
AURKB Q96GD4 3/20 0.40
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
CLK1 P49759 2/20 0.38
HDAC1 Q13547 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
EGFR P00533 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PTGS2 P35354 1/20 0.34
SRC P12931 1/20 0.34
GSK3B P49841 1/20 0.34
AURKC Q9UQB9 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL2023477 0.91 AURKA (0.41) AURKAAURKBPIM1AKT2ADORA2A
SCHEMBL2961826 0.89 IGF1R (0.41) AURKAAURKBPIM1AKT2ADORA2A
SCHEMBL2969904 0.88 PIM1 (0.48) AURKAAURKBPIM1AKT2SMN1; SMN2
SCHEMBL2969129 0.87 ABCG2 (0.42) AURKAAURKBPIM1AKT2SMN1; SMN2
SCHEMBL2968535 0.86 WNT3A (0.41) AURKAAURKBPIM1AKT2HDAC1
SCHEMBL2960267 0.86 BRAF (0.42) AURKAAURKBADORA2AADORA1ALDH1A1
SCHEMBL2966367 0.86 PIM1 (0.48) PIM1AKT2ALDH1A1NPC1MAPT
SCHEMBL2968859 0.85 AURKA (0.40) AURKAAURKBPIM1AKT2ADORA2A
SCHEMBL2965209 0.84 PIM1 (0.46) AURKAAURKBPIM1AKT2ADORA2A
SCHEMBL2971914 0.84 PIM1 (0.45) PIM1AKT2ADORA2AADORA1EGFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885PIM1 2963/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 AURKA 2172/4885AURKB 2041/4885PIM1 2963/4885

“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.