SCHEMBL13036088

SCHEMBL13036088

Cc1ccc(F)c(-c2cn[nH]c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
NISCH Q9Y2I1 1/20 0.44
FEN1 P39748 2/20 0.43
ROCK2 O75116 10/20 0.41
ROCK1 Q13464 8/20 0.41
PIM1 P11309 3/20 0.41
SRC P12931 1/20 0.41
GSK3A P49840 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
PMP22 Q01453 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL16941403 0.86 FEN1 (0.52) LRRK2FEN1ROCK2ROCK1KCNH2
SCHEMBL29431749 0.79 RPS6KA3 (0.43) FEN1ROCK2ROCK1PIM1AKT1
SCHEMBL22192203 0.79 FEN1 (0.50) LRRK2FEN1ROCK2ROCK1PIM1
SCHEMBL16983735 0.79 FEN1 (0.44) LRRK2FEN1ROCK2ROCK1PIM1
SCHEMBL15889914 0.77 ROCK2 (0.45) LRRK2FEN1ROCK2ROCK1KCNH2
SCHEMBL9911406 0.76 LRRK2 (0.50) LRRK2ROCK2ROCK1PIM1KCNH2
SCHEMBL20611952 0.75 ROCK2 (0.51) LRRK2ROCK2ROCK1
SCHEMBL541293 0.74 FEN1 (0.57) FEN1ROCK2ROCK1PIM1AKT1
SCHEMBL16646838 0.74 PIM1 (0.50) LRRK2FEN1ROCK2ROCK1PIM1
SCHEMBL22641655 0.73 ROCK2 (0.43) LRRK2FEN1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 LRRK2 893/4885NISCH 3036/4885FEN1 268/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 LRRK2 893/4885NISCH 3036/4885FEN1 268/4885

“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.