SCHEMBL2968588

SCHEMBL2968588

CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(OC)cc3)ccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.38
PIM1 P11309 1/20 0.37
AKT2 P31751 1/20 0.37
HTR1A P08908 5/20 0.35
HTR3A P46098 2/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
PTGIR P43119 1/20 0.34
KDR P35968 2/20 0.34
PDGFRA P16234 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
RIPK2 O43353 1/20 0.33
FERMT2 Q96AC1 1/20 0.33
NCOA1 Q15788 1/20 0.33

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
SCHEMBL2968994 0.92 PIM1 (0.37) PIM1AKT2HTR1AHTR3AADRA1D
SCHEMBL2959806 0.89 HTR1A (0.36) PIM1AKT2HTR1AHTR3AADRA1D
SCHEMBL2961869 0.89 PIM1 (0.42) SREBF2PIM1AKT2HTR1AADRA1D
SCHEMBL2970865 0.89 SREBF2 (0.36) SREBF2PIM1AKT2HTR1AADRA1D
SCHEMBL2968113 0.88 KDM4E (0.35) SREBF2PIM1AKT2SMN1; SMN2KDM4E
SCHEMBL2961431 0.88 PIM1 (0.36) SREBF2PIM1AKT2HTR1AHTR3A
SCHEMBL2962035 0.87 PIM1 (0.43) PIM1AKT2HTR1AHTR3AADRA1D
SCHEMBL2962976 0.87 ALDH1A1 (0.35) SREBF2PIM1AKT2HTR1AADRA1D
SCHEMBL2019101 0.87 HTR1A (0.33) SREBF2PIM1AKT2HTR1AADRA1D
SCHEMBL2968051 0.86 PIM1 (0.34) PIM1AKT2SMN1; SMN2KDM4ELMNA

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 SREBF2 876/4885PIM1 2963/4885AKT2 3903/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SREBF2 876/4885PIM1 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.