SCHEMBL2957091

SCHEMBL2957091

Cc1ccc(Sc2ccc(OCC(=O)O)cc2)c(Nc2ccnc3nc(C)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
AKT2 P31751 1/20 0.43
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 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
SCHEMBL2971384 0.90 PIM1 (0.42) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2968955 0.89 MAPT (0.45) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2961106 0.88 PIM1 (0.44) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2970313 0.86 PIM1 (0.45) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2962035 0.86 PIM1 (0.43) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2968986 0.85 PIM1 (0.41) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2961811 0.85 PIM1 (0.46) PIM1AKT2KDM4EMAPTLMNA
SCHEMBL2015588 0.83 PIM1 (0.49) PIM1AKT2KDM4EMAPTKMT2A
SCHEMBL2957118 0.83 PIM1 (0.41) PIM1AKT2KDM4EKMT2ACYP1A2
SCHEMBL2018796 0.83 PIM1 (0.42) PIM1AKT2MAPTLMNASMN1; SMN2

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 PIM1 2963/4885AKT2 3903/4885KDM4E 1822/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885KDM4E 1822/4885

“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.