SCHEMBL2970840

SCHEMBL2970840

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
PIM1 P11309 1/20 0.36
AKT2 P31751 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2023477 0.90 AURKA (0.41) SMN1; SMN2PKMHPGDPIM1AKT2
SCHEMBL2970598 0.88 SMN1; SMN2 (0.43) SMN1; SMN2PKMHPGDPIM1AKT2
SCHEMBL2968604 0.88 SMN1; SMN2 (0.38) SMN1; SMN2PKMHPGDPIM1AKT2
SCHEMBL2019054 0.87 ICAM1 (0.40) SMN1; SMN2HPGDPIM1AKT2MAPT
SCHEMBL2970540 0.86 KDM4E (0.47) SMN1; SMN2PKMHPGDPIM1AKT2
SCHEMBL2968986 0.85 PIM1 (0.41) HPGDPIM1AKT2MAPTTP53
SCHEMBL2968955 0.84 MAPT (0.45) SMN1; SMN2PKMHPGDPIM1AKT2
SCHEMBL2015588 0.83 PIM1 (0.49) PIM1AKT2MAPTNPC1RAB9A
SCHEMBL2022784 0.83 PIM1 (0.39) HPGDPIM1AKT2MAPTICAM1
SCHEMBL2959916 0.82 PIM1 (0.38) SMN1; SMN2PKMHPGDPIM1AKT2

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 5 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
US-20070232645-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 (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 SMN1; SMN2 3135/4885PKM 3412/4885HPGD 3704/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885PKM 3412/4885HPGD 3704/4885

“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.