SCHEMBL6201576

SCHEMBL6201576

O=C(Cc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
MAPT P10636 2/20 0.65
FNTA P49354 1/20 0.61
FNTB P49356 1/20 0.61
KMT2A Q03164 3/20 0.57
NAPRT Q6XQN6 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
IDO1 P14902 1/20 0.56
HTT P42858 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL11606568 0.92 MAPT (0.55) L3MBTL1MAPTFNTAFNTBKMT2A
SCHEMBL6784815 0.85 CYP19A1 (0.63) MAPTFNTAFNTBKMT2ANAPRT
SCHEMBL1515767 0.85 NAPRT (0.68) L3MBTL1MAPTKMT2ANAPRTMEN1
SCHEMBL11825208 0.84 TSHR (0.62) L3MBTL1MAPTKMT2AMEN1USP2
SCHEMBL6282620 0.84 GAA (0.57) KMT2ANAPRTMEN1LMNAIDO1
SCHEMBL6283045 0.84 IDO1 (0.58) L3MBTL1KMT2ANAPRTALDH1A1LMNA
Hydrochloric Acid SCHEMBL27958148 0.83 NAPRT (0.66) L3MBTL1MAPTKMT2ANAPRTMEN1
SCHEMBL6282383 0.83 NPC1 (0.58) FNTAFNTBKMT2ANAPRTMEN1
SCHEMBL7538532 0.83 KMT2A (0.53) MAPTFNTAFNTBKMT2AMEN1
SCHEMBL17672056 0.83 NAPRT (0.65) KMT2ANAPRTMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed
US-4605656-A Pyridine and pyrazine oxime compounds as fungicides HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US disclosed
EP-0049854-B1 PYRIDINE AND PYRAZINE DERIVATIVES, PREPARATION OF THESE COMPOUNDS, FUNGICIDAL AGENTS CONTAINING THESE COMPOUNDS AS ACTIVE INGREDIENTS, AND THE USE OF SUCH COMPOUNDS OR AGENTS AS FUNGICIDES IN AGRICULTURE AND IN HORTICULTURE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-16 EP disclosed
EP-0049854-A2 Pyridine and pyrazine derivatives, preparation of these compounds, fungicidal agents containing these compounds as active ingredients, and the use of such compounds or agents as fungicides in agriculture and in horticulture F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-21 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 L3MBTL1 4484/4885MAPT 2844/4885FNTA 1484/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 L3MBTL1 4739/4885MAPT 2113/4885FNTA 1066/4885

“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.