SCHEMBL2997086

SCHEMBL2997086

CC1Cc2ccc(-c3cnn(CC(=O)N(C)C)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
ALOX5AP P20292 4/20 0.39
CCNC P24863 7/20 0.38
CDK8 P49336 7/20 0.38
FLT3 P36888 1/20 0.38
MYLK Q15746 1/20 0.38
AURKB Q96GD4 1/20 0.38
CILK1 Q9UPZ9 1/20 0.38
CDK11A Q9UQ88 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL2532614 0.91 HRH4 (0.39) HRH4WNT1GSK3BDYRK1A
SCHEMBL3470840 0.91 HRH4 (0.39) HRH4WNT1GSK3BDYRK1A
SCHEMBL2993455 0.90 SCD (0.40) CCNCCDK8HRH4WNT1GSK3B
SCHEMBL13243544 0.88 WNT1 (0.38) LRRK2HRH4WNT1GSK3BDYRK1A
SCHEMBL2996570 0.87 HRH4 (0.38) HRH4WNT1GSK3BDYRK1A
SCHEMBL2996802 0.87 HRH4 (0.41) HRH4
SCHEMBL2559263 0.87 HRH4 (0.42) HRH4WNT1GSK3BDYRK1A
SCHEMBL2513947 0.85 HRH4 (0.41) HRH4
SCHEMBL2515304 0.85 PIK3CD (0.42) HRH4
SCHEMBL2547197 0.84 HRH4 (0.40) LRRK2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US claimed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US claimed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US claimed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 LRRK2 2258/4885ALOX5AP 414/4885CCNC 2104/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 LRRK2 2258/4885ALOX5AP 414/4885CCNC 2104/4885

“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.