SCHEMBL2961966

SCHEMBL2961966

Cc1ccc2c(Nc3cc(CN(Cc4ccc(Sc5ccccc5)c(Nc5ccnc6nc(C)ccc56)c4)C(=O)OC(C)(C)C)ccc3Sc3ccccc3)ccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL2054424 0.88 PIM1 (0.39) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2015603 0.86 PIM1 (0.39) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2961779 0.82 PIM1 (0.41) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2960981 0.82 PIM1 (0.43) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL13273747 0.81 PIM1 (0.39) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2018796 0.79 PIM1 (0.42) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2968817 0.77 TDP1 (0.43) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2961780 0.77 PIM1 (0.39) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2971513 0.76 PIM1 (0.54) PIM1AKT2MAPTLMNASMN1; SMN2
SCHEMBL2054423 0.76 PIM1 (0.38) 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 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 PIM1 2963/4885AKT2 3903/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAPT 1347/4885

“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.