SCHEMBL6409488

SCHEMBL6409488

NCc1ccnc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DPP4 P27487 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
TRPV3 Q8NET8 2/20 0.42
ADORA2A P29274 2/20 0.41
POLB P06746 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
COMT P21964 1/20 0.40
AURKA O14965 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRKACA P17612 1/20 0.40
NPC1 O15118 4/20 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
SCHEMBL14351990 0.85 HRH1 (0.48) ADRB2KDM4EMEN1MAPTKMT2A
SCHEMBL28853231 0.81 MAPT (0.42) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL7958916 0.81 TRPV3 (0.45) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL27135558 0.81 MAPT (0.42) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL7968990 0.81 KMT2A (0.42) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL3260707 0.79 NR1H2 (0.46) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL4101559 0.78 SREBF2 (0.48) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL894080 0.78 TRPV3 (0.58) DPP4TRPV3
SCHEMBL5139622 0.77 IDH1 (0.41) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL14352515 0.77 MEN1 (0.49) KDM4EMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102123999-B Process for the preparation of an orexin receptor antagonist MERCK & CO INC 2014-06-18 CN disclosed
CN-102718719-A Heterocyclic substituted urea compounds and preparation method thereof UNIV SHANGHAI 2012-10-10 CN disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
US-6281359-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-08-28 US disclosed
US-6221871-B1 TREATING SCHIZOPHRENIA, DEPRESSION OR PARKINSON'S DISEASE NEUROGEN CORPORATION 2001-04-24 US disclosed
US-6221871-B1 TREATING SCHIZOPHRENIA, DEPRESSION OR PARKINSON'S DISEASE NEUROGEN CORPORATION 2001-04-24 US disclosed
US-5912350-A Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands NEUROGEN CORPORATION (US) 1999-06-15 US disclosed
US-5912350-A Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands NEUROGEN CORPORATION (US) 1999-06-15 US disclosed
US-5677454-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSONISM NEUROGEN CORPORATION (US) 1997-10-14 US disclosed
EP-0793662-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1997-09-10 EP disclosed
US-5594141-A ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1997-01-14 US disclosed
US-5594141-A ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1997-01-14 US disclosed
WO-1996016058-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ADRB2 1999/4885KDM4E 1308/4885MEN1 1738/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ADRB2 1047/4885KDM4E 1540/4885MEN1 3951/4885

“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.