SCHEMBL2992028

SCHEMBL2992028

CC1Cc2ccc(-c3ccnc(C(=O)N4CCC(N(C)C)C4)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 10/20 0.38
PIK3CA P42336 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
ATR Q13535 2/20 0.35
HRH4 Q9H3N8 2/20 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
SCHEMBL2513524 0.92 PIK3CA (0.38) PIK3CAMALT1ATRHRH4
SCHEMBL3002159 0.90 TP53BP1 (0.39) TP53BP1HRH4
SCHEMBL2996762 0.90 PIK3C3 (0.40) TP53BP1HRH4
SCHEMBL2537896 0.89 HRH4 (0.41) PIK3CAHRH4
SCHEMBL2993248 0.88 PIK3CA (0.40) PIK3CAMALT1ATRHRH4
SCHEMBL13266631 0.88 HRH4 (0.38) TP53BP1HRH4
SCHEMBL2993201 0.88 HRH4 (0.38) TP53BP1HRH4
SCHEMBL2537725 0.88 HRH4 (0.43) TP53BP1PIK3CAHRH4
SCHEMBL2563793 0.88 HRH4 (0.40) TP53BP1PIK3CAHRH4
SCHEMBL2546419 0.85 HRH4 (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 TP53BP1 3630/4885PIK3CA 1098/4885MALT1 1458/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 TP53BP1 3630/4885PIK3CA 1098/4885MALT1 1458/4885

“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.