SCHEMBL2993248

SCHEMBL2993248

CC1Cc2ccc(-c3cc(C(=O)N4CCC(N(C)C)C4)n(C)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
HRH4 Q9H3N8 5/20 0.35
ATR Q13535 4/20 0.34
MALT1 Q9UDY8 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL2992028 0.88 TP53BP1 (0.38) PIK3CAHRH4ATRMALT1
SCHEMBL2512682 0.88 HRH4 (0.40) HRH4
SCHEMBL2513524 0.88 PIK3CA (0.38) PIK3CAHRH4ATRMALT1
SCHEMBL2996717 0.85 HRH4 (0.40) HRH4
SCHEMBL2516043 0.84 HRH4 (0.42) HRH4
SCHEMBL3003901 0.83 HRH4 (0.41) HRH4
SCHEMBL2998113 0.83 HRH4 (0.37) HRH4
SCHEMBL2513475 0.82 HRH4 (0.39) HRH4
SCHEMBL2514094 0.81 HRH4 (0.40) HRH4
SCHEMBL2997591 0.81 HRH4 (0.39) 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 PIK3CA 1098/4885HRH4 1/4885ATR 4439/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 PIK3CA 1098/4885HRH4 1/4885ATR 4439/4885

“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.