SCHEMBL2992853

SCHEMBL2992853

CN1CCN(c2cc(N3CCc4ccc(-c5ccc(C(=O)N[C@H]6CC[C@H](O)CC6)nc5)cc4C3)nc(N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.48
ACVR1 Q04771 8/20 0.47
BMPR1B O00238 7/20 0.47
BMPR1A P36894 7/20 0.47
ACVRL1 P37023 7/20 0.47
TGFBR1 P36897 6/20 0.41
HSD11B1 P28845 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
TYRO3 Q06418 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
PAK1 Q13153 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL2992854 1.00 HRH4 (0.48) HRH4ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL2492711 0.86 HRH4 (0.55) HRH4PIK3CAHDAC3HDAC2CYP1A2
SCHEMBL3001496 0.84 HRH4 (0.58) HRH4
SCHEMBL14922693 0.84 HRH4 (0.58) HRH4
SCHEMBL2515479 0.82 HRH4 (0.50) HRH4HDAC3HDAC2CYP1A2CYP2C18
SCHEMBL2536464 0.79 HRH4 (0.51) HRH4HDAC3HDAC2
SCHEMBL14922703 0.79 ACVR1 (0.47) ACVR1BMPR1BBMPR1AACVRL1TGFBR1
SCHEMBL2494389 0.79 HRH4 (0.56) HRH4ACVR1BMPR1BBMPR1AACVRL1
SCHEMBL2993600 0.78 HRH4 (0.55) HRH4DYRK1A
SCHEMBL2806063 0.77 HRH4 (0.48) HRH4HDAC3HDAC2CYP1A2CYP2C18

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 11 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-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 1/4885ACVR1 2572/4885BMPR1B 1025/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885ACVR1 2572/4885BMPR1B 1025/4885

“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.