SCHEMBL603700

SCHEMBL603700

Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1sccc1-2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.68
HRH3 Q9Y5N1 3/20 0.50
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PRKCI P41743 1/20 0.40

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
SCHEMBL615654 0.85 HRH4 (0.70) HRH4HRH3
SCHEMBL602812 0.81 HRH4 (1.00) HRH4HRH3HRH2HRH1
SCHEMBL19559282 0.81 HRH4 (1.00) HRH4HRH3HRH2HRH1
SCHEMBL29409628 0.81 HRH4 (1.00) HRH4HRH3HRH2HRH1
SCHEMBL2166477 0.79 HRH4 (0.96) HRH4HRH3HRH2HRH1
SCHEMBL614724 0.79 HRH4 (0.96) HRH4HRH3HRH2HRH1
SCHEMBL2165410 0.78 HRH4 (0.94) HRH4HRH3HRH2HRH1
SCHEMBL606395 0.78 HRH4 (0.94) HRH4HRH3HRH2HRH1
SCHEMBL603560 0.77 HRH4 (0.57) HRH4HRH3HRH2HRH1
SCHEMBL606141 0.77 HRH4 (0.57) HRH4HRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US claimed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 US claimed
WO-2009137492-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-11-12 WO claimed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
EP-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed
US-9526725-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-12-27 US disclosed
EP-2382013-B1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-07-13 EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
EP-2858647-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2015-04-15 EP disclosed
WO-2013182711-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2013-12-12 WO disclosed
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120039913-A1 Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders INSERM (institut National de la Sante de la Recher Medicale) (FR) 2012-02-16 US disclosed
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 EP disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 US disclosed
WO-2009137492-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-11-12 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 (1 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-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 HRH4 1115/4885HRH3 1407/4885HRH2 597/4885

“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.