SCHEMBL2996802

SCHEMBL2996802

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.41
CREBBP Q92793 1/20 0.39
MAP4K1 Q92918 1/20 0.39
PIK3CA P42336 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GPER1 Q99527 1/20 0.37

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
SCHEMBL2513947 0.91 HRH4 (0.41) HRH4HTR3AHRH3GPER1
SCHEMBL2559263 0.91 HRH4 (0.42) HRH4PIK3CAHTR3AHRH3
SCHEMBL3470840 0.91 HRH4 (0.39) HRH4HTR3A
SCHEMBL2996570 0.90 HRH4 (0.38) HRH4HTR3A
SCHEMBL2547197 0.90 HRH4 (0.40) HRH4HTR3A
SCHEMBL2581265 0.89 HRH4 (0.41) HRH4HTR3AHRH3
SCHEMBL2514068 0.89 WDR5 (0.41) HRH4PIK3CA
SCHEMBL2532614 0.89 HRH4 (0.39) HRH4HTR3A
SCHEMBL2515304 0.89 PIK3CD (0.42) HRH4CREBBPPIK3CAHTR3AHRH3
SCHEMBL2993455 0.88 SCD (0.40) HRH4

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 HRH4 1/4885CREBBP 3166/4885MAP4K1 1476/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885CREBBP 3166/4885MAP4K1 1476/4885

“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.