Sugi Predict

Sugi Predict / Compounds / SCHEMBL2995883

SCHEMBL2995883

SCHEMBL2995883

CC1Cc2ccc(-c3ccc(C(=O)N[C@H](C)CO)nc3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 5/20 0.41
▸ ROCK2 O75116 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C18 P33260 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH4 Q9H3N8 6/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ HDAC4 P56524 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
SCHEMBL2990113 0.92 AXL (0.38) AXLHRH4
SCHEMBL2493489 0.89 HRH4 (0.42) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL2490691 0.88 PIP5K1C (0.40) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL2512301 0.86 HRH4 (0.41) HDAC3HDAC2HRH4
SCHEMBL2490652 0.84 HRH4 (0.40) HRH4
SCHEMBL2990072 0.84 PIK3CD (0.40) HRH4
SCHEMBL2548435 0.83 HRH4 (0.42) HRH4
SCHEMBL2508952 0.83 HRH4 (0.40) HRH4
SCHEMBL2999548 0.82 HRH4 (0.38) HRH4
SCHEMBL13266803 0.82 HRH4 (0.38) 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 AXL 929/4885ROCK2 4661/4885HDAC3 106/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 AXL 929/4885ROCK2 4661/4885HDAC3 106/4885

“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.