SCHEMBL3524015

SCHEMBL3524015

Cc1nccn2c(-c3ccnc(NC4CCNCC4)n3)c(-c3ccc(F)cc3)nc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 10/20 0.69
PRKD2 Q9BZL6 8/20 0.69
MAP4K4 O95819 8/20 0.69
CSNK1A1 P48729 8/20 0.69
PRKD3 O94806 7/20 0.69
TAOK1 Q7L7X3 7/20 0.69
MINK1 Q8N4C8 7/20 0.69
CSNK1G2 P78368 6/20 0.69
MAPK8 P45983 6/20 0.69
GSK3B P49841 6/20 0.69
CSNK1G3 Q9Y6M4 4/20 0.69
GSK3A P49840 3/20 0.69
CSNK1G1 Q9HCP0 3/20 0.69
MAPK1 P28482 3/20 0.69
CLK2 P49760 1/20 0.69
AURKB Q96GD4 1/20 0.69
HIPK2 Q9H2X6 1/20 0.69
PIM2 Q9P1W9 1/20 0.69
ALK Q9UM73 1/20 0.69
CSNK1D P48730 9/20 0.59

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
SCHEMBL3523229 0.93 MAPK9 (0.64) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL3525576 0.83 MAPK9 (0.62) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL3523193 0.83 PRKD3 (0.70) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL13342041 0.82 MAPK9 (0.58) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL3529188 0.81 MAPK9 (0.66) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL2745596 0.81 MAPK8 (1.00) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL2745269 0.81 PRKD3 (0.65) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
Hydrochloric Acid SCHEMBL3808465 0.81 MAPK8 (0.98) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL2745996 0.81 MAPK8 (0.70) MAPK9PRKD2MAP4K4CSNK1A1PRKD3
SCHEMBL5411813 0.80 ALOX5 (0.64) MAPK9PRKD2MAP4K4CSNK1A1PRKD3

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-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 MAPK9 189/4885PRKD2 413/4885MAP4K4 23/4885

“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.