SCHEMBL4854918

SCHEMBL4854918

COc1cc(I)ccc1-c1nc(C)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 6/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HPGD P15428 1/20 0.43
S1PR1 P21453 2/20 0.43
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL964682 0.82 ACHE (0.53) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5660762 0.78 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL18031476 0.77 KMT2A (0.54) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18031477 0.76 MAPT (0.53) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL960141 0.75 NPC1 (0.44) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL16481954 0.75 THRB (0.52) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL960534 0.73 PSEN1 (0.46) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL21958463 0.73 S1PR1 (0.42) CHEK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL16481907 0.72 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL14600785 0.72 S1PR1 (0.44) CHEK1NPC1RAB9ASMN1; SMN2TP53

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-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 46/4885NPC1 3001/4885RAB9A 2046/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885NPC1 3492/4885RAB9A 1853/4885

“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.