SCHEMBL501694

SCHEMBL501694

Cc1ccnc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
S1PR4 O95977 1/20 0.59
PABPC1 P11940 1/20 0.59
S1PR1 P21453 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL14357447 0.86 NPSR1 (0.62) NPSR1RAB9AGAALMNAMAPT
SCHEMBL15903699 0.83 NPSR1 (0.50) NPSR1RAB9AGAALMNAMAPT
SCHEMBL15046562 0.80 SMN1; SMN2 (0.62) NPSR1GAALMNAMAPTMEN1
SCHEMBL15920579 0.79 RAB9A (0.47) NPSR1RAB9AGAALMNAMAPT
SCHEMBL11585645 0.79 KDM4E (0.49) NPSR1RAB9AGAALMNAMAPT
SCHEMBL13390916 0.79 GAA (0.45) NPSR1RAB9AGAALMNAMAPT
SCHEMBL14387832 0.79 GAA (0.45) NPSR1RAB9AGAALMNAMAPT
SCHEMBL7479419 0.77 ALDH1A1 (0.73) NPSR1GAALMNAMAPTMEN1
SCHEMBL30817652 0.77 ALDH1A1 (0.73) NPSR1GAALMNAMAPTMEN1
SCHEMBL30817653 0.77 ALDH1A1 (0.73) NPSR1GAALMNAMAPTMEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196522-B1 2-AMINO-4-TRICHLOROMETHYL PYRIDINE, PROCESS FOR ITS PREPARATION AND ITS USE AS A NITRIFICATION INHIBITOR BASF Aktiengesellschaft (DE) 1989-07-12 EP claimed
US-4699983-A 2-amino-4-trichloromethylpyridine and its preparation BASF AKTIENGESELLSCHAFT (DE) 1987-10-13 US claimed
EP-0196522-A1 2-Amino-4-trichloromethyl pyridine, process for its preparation and its use as a nitrification inhibitor BASF Aktiengesellschaft (DE) 1986-10-08 EP claimed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
US-8106064-B2 administering 1-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-6-(3-[1,3]dioxolan-2-yl-5-methyl-phenoxy)-5-isopropyl-1H-pyrimidine-2,4-dione viricide to treat AIDS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-31 US disclosed
EP-1494671-B1 1-(4-PIPERIDINYL)BENZIMIDAZOLONES AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2011-10-19 EP disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 US disclosed
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
US-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-02-11 US disclosed
EP-2044037-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed
US-5360796-A Treatment of hypoxia, anoxia or ischemia G. D. SEARLE & CO. (US) 1994-11-01 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed
EP-0196522-B1 2-AMINO-4-TRICHLOROMETHYL PYRIDINE, PROCESS FOR ITS PREPARATION AND ITS USE AS A NITRIFICATION INHIBITOR BASF Aktiengesellschaft (DE) 1989-07-12 EP disclosed
US-4699983-A 2-amino-4-trichloromethylpyridine and its preparation BASF AKTIENGESELLSCHAFT (DE) 1987-10-13 US disclosed
EP-0196522-A1 2-Amino-4-trichloromethyl pyridine, process for its preparation and its use as a nitrification inhibitor BASF Aktiengesellschaft (DE) 1986-10-08 EP 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-20100034827-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLRMT, POLR2H NPSR1 4400/4885RAB9A 3082/4885GAA 356/4885
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 NPSR1 781/4885RAB9A 2235/4885GAA 360/4885

“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.