Sugi Predict

Sugi Predict / Compounds / SCHEMBL2996846

SCHEMBL2996846

SCHEMBL2996846

CC1Cc2ccc(-c3cc(C(=O)OCc4ccccc4)n(C)c3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.45
▸ TMEM97 Q5BJF2 5/20 0.39
▸ SIGMAR1 Q99720 5/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL2516043 0.86 HRH4 (0.42) HRH4HRH3HTR3A
SCHEMBL3003901 0.83 HRH4 (0.41) HRH4HRH3HTR3A
SCHEMBL2514094 0.83 HRH4 (0.40) HRH4HTR3A
SCHEMBL2997591 0.83 HRH4 (0.39) HRH4
SCHEMBL2996717 0.83 HRH4 (0.40) HRH4HRH3HTR3A
SCHEMBL2512682 0.82 HRH4 (0.40) HRH4HRH3HTR3A
SCHEMBL2513475 0.81 HRH4 (0.39) HRH4HTR3A
SCHEMBL2998113 0.80 HRH4 (0.37) HRH4HTR3A
SCHEMBL2993248 0.77 PIK3CA (0.40) HRH4
SCHEMBL2488271 0.77 HRH4 (0.42) HRH4HRH3HTR3A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 — — WO 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 1/4885TMEM97 857/4885SIGMAR1 61/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885TMEM97 857/4885SIGMAR1 61/4885

“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.