SCHEMBL3384116

SCHEMBL3384116

[NH]C(=O)c1cccc2c1NCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
PARP1 P09874 6/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 2/20 0.38
PDPK1 O15530 1/20 0.38
AURKA O14965 1/20 0.36
MAPT P10636 1/20 0.34
HTR2C P28335 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PRKAA1 Q13131 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31

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
SCHEMBL3243204 0.84 LIG1 (0.42) SRCPARP1PARP10PARP11PDPK1
SCHEMBL6246982 0.82 SRC (0.39) SRCPARP1PARP10PARP11PDPK1
SCHEMBL9667622 0.82 ALDH1A1 (0.45) SRCPARP1PARP10PARP11PDPK1
Hydrochloric Acid SCHEMBL30075334 0.82 LIG1 (0.41) SRCPARP1PARP10PARP11PDPK1
SCHEMBL3384120 0.82 AURKA (0.50) SRCPARP1PARP10PARP11PDPK1
SCHEMBL24210987 0.79 SRC (0.36) SRCPARP1PARP10PARP11PDPK1
SCHEMBL6244960 0.78 PLK1 (0.44) SRCPARP1PARP10PARP11PDPK1
SCHEMBL10661545 0.78 KDM4E (0.45) SRCPARP1TSHRKDM4EALDH1A1
SCHEMBL31562070 0.78 KDM4E (0.45) SRCPARP1TSHRKDM4EALDH1A1
SCHEMBL10544590 0.78 AKR1C3 (0.46) PARP1PARP10PARP11PDPK1MAPT

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
EP-1984002-B1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7572823-B2 Heteroaryl carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20070185182-A1 Heteroaryl carboxamide compounds HOFFMAN-LA ROCHE INC. 2007-08-09 US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP SRC 3494/4885PARP1 118/4885PARP10 312/4885
US-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 SRC 2222/4885PARP1 467/4885PARP10 696/4885

“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.