SCHEMBL4644412

SCHEMBL4644412

CC(C)Nc1nccc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.49
MAPK8 P45983 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK9 P45984 3/20 0.46
MAPK10 P53779 3/20 0.46
LCK P06239 3/20 0.44
ABL1 P00519 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
MAP2K2 P36507 1/20 0.44
CDK7 P50613 1/20 0.44
HTR7 P34969 1/20 0.39
KCNH3 Q9ULD8 2/20 0.39
FLT3 P36888 1/20 0.38
PDE4B Q07343 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL21550280 0.83 MAPK8 (0.37) HRH4MAPK8MAPK9MAPK10LCK
SCHEMBL7014490 0.83 HTR7 (0.59) LCKHTR7
SCHEMBL27850412 0.83 IDH1 (0.51) MAPK8MAPK9MAPK10LCKHTR7
SCHEMBL11308778 0.82 MAPK8 (0.37) HRH4MAPK8MAPK9MAPK10LCK
SCHEMBL2844731 0.82 ABL1 (0.52) HRH4MAPK8GAAMAPK9MAPK10
SCHEMBL27850423 0.80 HTR7 (0.52) HTR7
SCHEMBL12411106 0.78 ABL1 (0.50) HRH4MAPK8MAPK9MAPK10LCK
SCHEMBL91488 0.78 HRH4 (0.50) HRH4MAPK8GAATDP1MAPK9
SCHEMBL1136855 0.77
SCHEMBL14999425 0.76 HRH4 (0.49) HRH4MAPK8GAATDP1MAPK9

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-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 WO disclosed
US-4256738-A BACTERICIDES, PYRIMIDINYL, QUINAZOLINYL BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US disclosed
EP-0001981-A1 9-(Omega-heteroarylamino-alkylamino)-erythromycins, their salts, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1979-05-30 EP 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-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 HRH4 966/4885MAPK8 6/4885GAA 4066/4885

“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.