SCHEMBL14992148

SCHEMBL14992148

CC1NC(=O)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.46
GAA P10253 2/20 0.44
CES1 P23141 2/20 0.42
TGM2 P21980 1/20 0.42
TNKS2 Q9H2K2 2/20 0.41
S100A4 P26447 1/20 0.41
MAPT P10636 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL14991575 0.85 MKNK2 (0.46) PPOXGAACES1TGM2TNKS2
SCHEMBL12240953 0.79 KDM4E (0.44) TNKS2MAPTMKNK1MKNK2CDK5
SCHEMBL12241460 0.79 KDM4E (0.44) TNKS2MAPTMKNK1MKNK2CDK5
SCHEMBL12241449 0.79 KDM4E (0.44) TNKS2MAPTMKNK1MKNK2CDK5
SCHEMBL12219994 0.78 MKNK2 (0.40) S100A4MKNK1MKNK2RETKMT2A
SCHEMBL18878150 0.78 ACHE (0.42) MKNK1MKNK2PTK2NTRK3LRRK2
SCHEMBL2904093 0.78 CYP1A2 (0.42) CES1TGM2S100A4MKNK1MKNK2
SCHEMBL16098250 0.78 CYP1A2 (0.42) CES1TGM2S100A4MKNK1MKNK2
SCHEMBL18878104 0.78 ACHE (0.42) MKNK1MKNK2PTK2NTRK3LRRK2
SCHEMBL18863238 0.78 ACHE (0.42) MKNK1MKNK2PTK2NTRK3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
EP-2785695-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 PPOX 1067/4885GAA 4125/4885CES1 69/4885

“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.