Sugi Predict

Sugi Predict / Compounds / SCHEMBL2998708

SCHEMBL2998708

SCHEMBL2998708

CC1Cc2ccc(-c3ccc(C(=O)N4CC(C#N)C4)nc3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PIK3CA P42336 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MTOR P42345 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
SCHEMBL3003139 0.92 HRH4 (0.38) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL13266803 0.91 HRH4 (0.38) HRH4HRH3PIK3CA
SCHEMBL2999548 0.91 HRH4 (0.38) HRH4PIK3CA
SCHEMBL2490652 0.91 HRH4 (0.40) HRH4PIK3CAMTOR
SCHEMBL2508952 0.89 HRH4 (0.40) HRH4PIK3CA
SCHEMBL2548435 0.89 HRH4 (0.42) HRH4PIK3CA
SCHEMBL3001474 0.87 PIK3C3 (0.38) HRH4PIK3CA
SCHEMBL2510809 0.87 HRH4 (0.36) HRH4PIK3CA
SCHEMBL2512301 0.86 HRH4 (0.41) HRH4HRH3
SCHEMBL2513524 0.85 PIK3CA (0.38) 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 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 1/4885HTR1A 169/4885ADRA2A 518/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HTR1A 169/4885ADRA2A 518/4885

“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.