SCHEMBL418650

SCHEMBL418650

Cn1cnc2cc(I)cnc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
DYRK1A Q13627 2/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CDK1 P06493 1/20 0.31
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL10238681 0.77 GRM5 (0.50) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL114730 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL323910 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL20698114 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1HRH4
SCHEMBL14142248 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL323911 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL3389333 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1HRH4
SCHEMBL30050236 0.75 GRM5 (0.49) GRM5DYRK1AADORA2AADORA1PIK3CG
SCHEMBL17058745 0.73 GRM5 (0.44) GRM5DYRK1AADORA2AADORA1CYP1A2
SCHEMBL17058743 0.72 GRM5 (0.46) GRM5DYRK1AADORA2AADORA1PIK3CG

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
EP-3864015-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLE DERIVATEIVES BAYER AG (DE) 2023-05-10 EP disclosed
CN-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 CN disclosed
US-11345681-B1 Inhibitors of fibroblast growth factor receptor kinases KINNATE BIOPHARMA INC. (US) 2022-05-31 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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 (4 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GRM5 118/4885DYRK1A 996/4885ADORA2A 449/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GRM5 118/4885DYRK1A 996/4885ADORA2A 449/4885
US-11345681-B1 Inhibitors of fibroblast growth factor receptor kinases FGFR1, FGFR2, FGFR3 GRM5 2790/4885DYRK1A 967/4885ADORA2A 2538/4885
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GRM5 149/4885DYRK1A 1340/4885ADORA2A 314/4885

“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.