SCHEMBL3663129

SCHEMBL3663129

O=C(c1ccccn1)c1cn2cc(Cl)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NR4A2 P43354 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.44
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL3773383 0.83 NR4A2 (0.58) NR4A2CYP2C9KDM4ERAB9ANPC1
SCHEMBL4211423 0.81 RAB9A (0.53) HRH4HRH3NR4A2CYP2C9KDM4E
SCHEMBL4213158 0.78 HRH4 (0.55) HRH4HRH3KDM4ERAB9ANPC1
SCHEMBL2086757 0.77 RAB9A (0.52) HRH4HRH3KDM4ERAB9ANPC1
SCHEMBL299158 0.76 HRH4 (0.58) HRH4HRH3KDM4ERAB9ANPC1
SCHEMBL4242240 0.75 EGLN1 (0.53) HRH4HRH3NR4A2KDM4ERAB9A
SCHEMBL1578499 0.75 GRM5 (0.45) NR4A2CYP2C9KDM4ERAB9A
SCHEMBL2086752 0.74 HRH4 (0.54) HRH4HRH3KDM4ERAB9ANPC1
SCHEMBL20646875 0.74 HRH4 (0.61) HRH4HRH3KDM4ERAB9ANPC1
SCHEMBL741720 0.74 HRH4 (0.57) HRH4HRH3KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. 2016-09-15 US claimed
WO-2015059632-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. (US) 2015-04-30 WO claimed
US-20100317688-A1 2-HETEROAROYLIMIDAZOL[1,2-a]PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US claimed
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. 2016-09-15 US disclosed
WO-2015059632-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. (US) 2015-04-30 WO disclosed
US-20100317688-A1 2-HETEROAROYLIMIDAZOL[1,2-a]PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-12-16 US disclosed
EP-2240480-A2 DERIVATIVES OF 2-HETEROAROYL-IMIDAZOL(1,2-A)PYRIDINE,PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009106752-A2 DERIVATIVES OF 2-HETEROAROYL-IMIDAZOL[1,2-A]PYRIDINE, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-03 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-20100317688-A1 2-HETEROAROYLIMIDAZOL[1,2-a]PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF XDH, CYP11B2, IL4I1 HRH4 140/4885HRH3 96/4885NR4A2 3136/4885
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER NCOR1, NR4A2, NR4A3 HRH4 1951/4885HRH3 1864/4885NR4A2 2/4885

“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.