SCHEMBL810708

SCHEMBL810708

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.69
AKT2 P31751 1/20 0.69
ALK Q9UM73 1/20 0.41
EGFR P00533 9/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RET P07949 1/20 0.35
KIF5B P33176 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.34
FGFR1 P11362 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
SCHEMBL811431 0.90 PIM1 (0.66) PIM1AKT2EGFRRETKIF5B
SCHEMBL811294 0.90 PIM1 (0.61) PIM1AKT2EGFRALDH1A1CYP1A2
SCHEMBL811087 0.89 PIM1 (0.65) PIM1AKT2ALKEGFRRET
SCHEMBL811387 0.89 PIM1 (0.65) PIM1AKT2EGFRFGFR1
SCHEMBL810522 0.87 PIM1 (0.77) PIM1AKT2ALKEGFRSMN1; SMN2
SCHEMBL810627 0.87 PIM1 (0.61) PIM1AKT2ALKEGFRHTT
SCHEMBL1455262 0.86 PIM1 (0.58) PIM1AKT2ALKKDR
SCHEMBL810714 0.85 PIM1 (0.71) PIM1AKT2EGFRKDR
SCHEMBL810579 0.85 PIM1 (0.76) PIM1AKT2EGFRKDR
SCHEMBL4381544 0.85 PIM1 (0.71) PIM1AKT2ALKEGFRKDR

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 6 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
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US 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 (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885ALK 4279/4885

“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.