SCHEMBL2549049

SCHEMBL2549049

CC1Cc2ccc(-c3cnn(CC4CCC4)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CREBBP Q92793 1/20 0.38
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2517730 0.98 HRH4 (0.40) HRH4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2515304 0.97 PIK3CD (0.42) HRH4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2559263 0.89 HRH4 (0.42) HRH4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3001826 0.89 HRH4 (0.37) HRH4
SCHEMBL2996802 0.87 HRH4 (0.41) HRH4PIK3CACREBBPHTR3AHRH3
SCHEMBL2513947 0.87 HRH4 (0.41) HRH4HTR3AHRH3
SCHEMBL2547197 0.86 HRH4 (0.40) HRH4HTR3A
SCHEMBL2581265 0.85 HRH4 (0.41) HRH4HTR3AHRH3
SCHEMBL2571821 0.85 HRH4 (0.40) HRH4HTR3AHRH3
SCHEMBL2514068 0.85 WDR5 (0.41) HRH4PIK3CA

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 14 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
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP 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
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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 (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 HRH4 1/4885PIK3CD 2086/4885PIK3CA 1098/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885PIK3CD 2086/4885PIK3CA 1098/4885

“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.