SCHEMBL810444

SCHEMBL810444

Cc1ccc2c(Nc3cc(NCc4ccccc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.63
AKT2 P31751 1/20 0.63
EGFR P00533 6/20 0.40
ERBB4 Q15303 1/20 0.36
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
MERTK Q12866 1/20 0.35
ERBB2 P04626 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDR P35968 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 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
SCHEMBL810627 0.92 PIM1 (0.61) PIM1AKT2EGFRERBB2
SCHEMBL811176 0.91 PIM1 (0.60) PIM1AKT2EGFRERBB4FLT3
SCHEMBL810420 0.90 PIM1 (0.57) PIM1AKT2EGFRERBB4ERBB2
SCHEMBL810885 0.89 PIM1 (0.56) PIM1AKT2EGFRMEN1KMT2A
SCHEMBL810855 0.88 PIM1 (0.64) PIM1AKT2EGFRMAPT
SCHEMBL811023 0.88 PIM1 (0.56) PIM1AKT2EGFRMEN1KMT2A
SCHEMBL811087 0.87 PIM1 (0.65) PIM1AKT2EGFRFLT3MEN1
SCHEMBL2968120 0.87 PIM1 (0.47) PIM1AKT2AXLFLT3MERTK
SCHEMBL810679 0.87 PIM1 (0.58) PIM1AKT2EGFRMEN1MAPT
SCHEMBL810865 0.87 PIM1 (0.58) PIM1AKT2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885EGFR 2701/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885EGFR 2701/4885

“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.