SCHEMBL6282286

SCHEMBL6282286

O=C(Cc1ccncc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
GSK3B P49841 1/20 0.56
NAMPT P43490 1/20 0.54
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PIK3CA P42336 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
MMP1 P03956 1/20 0.49
PLOD2 O00469 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KIF11 P52732 1/20 0.46
HSD11B1 P28845 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SRD5A2 P31213 2/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL5921849 0.93 PIK3CA (0.54) PTPN1GSK3BNAMPTCES2CES1
SCHEMBL4847457 0.89 PTPN1 (0.63) PTPN1GSK3BCES2CES1PIK3CA
SCHEMBL6282451 0.85 MAPT (0.51) MAPTKIF11HDAC1SRD5A2
SCHEMBL1515765 0.84 MAPT (0.61) PTPN1GSK3BCES2CES1PIK3CA
SCHEMBL6203734 0.83 ALDH1A1 (0.55) HIF1APLOD2PLOD3PLOD1MAPT
SCHEMBL2929610 0.83 VNN1 (0.57) NAMPTCES2POLBSRD5A2
SCHEMBL11792850 0.83 VNN1 (0.58) PTPN1GSK3BNAMPTHIF1AEPAS1
SCHEMBL6339735 0.83 PTPN1 (0.56) PTPN1GSK3BCES2CES1PIK3CA
SCHEMBL8371456 0.83 PTPN1 (0.56) PTPN1GSK3BCES2CES1PIK3CA
SCHEMBL2645324 0.82 LTA4H (0.58) PTPN1NAMPTCES2CES1PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 US disclosed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 WO 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PTPN1 895/4885GSK3B 540/4885NAMPT 1006/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PTPN1 102/4885GSK3B 811/4885NAMPT 1700/4885
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS REN, FURIN, QTRT1 PTPN1 3471/4885GSK3B 3108/4885NAMPT 1413/4885

“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.