SCHEMBL6282341

SCHEMBL6282341

O=C(Cc1cccnc1)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.58
PLAU P00749 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP1B1 Q16678 1/20 0.52
DRD4 P21917 1/20 0.52
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 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
SCHEMBL6954113 0.86 KDM4E (0.52) IDO1CYP1A2CYP3A4CYP1A1CYP2D6
SCHEMBL5848713 0.83 PLAU (0.57) PLAUCYP1A2CYP1A1CYP1B1PTPN1
SCHEMBL1515809 0.82 PLAU (0.73) PLAUPTPN1KDM4ENPC1RAB9A
SCHEMBL1515812 0.82 PLAU (0.61) PLAUCYP3A4KDM4ENPC1RAB9A
SCHEMBL1515767 0.81 NAPRT (0.68) IDO1NAPRTCYP1A2CYP3A4NPC1
SCHEMBL15389082 0.81 PLOD2 (0.69) CYP1A2CYP3A4CYP1A1CYP2D6CYP1B1
SCHEMBL10464249 0.80 IDO1 (0.59) IDO1NAPRTKDM4E
Hydrochloric Acid SCHEMBL27958148 0.80 NAPRT (0.66) IDO1NAPRTCYP1A2CYP3A4NPC1
SCHEMBL31326722 0.79 NAPRT (0.65) IDO1NAPRTCYP1A2CYP3A4NPC1
SCHEMBL9711266 0.79 PTPN1 (0.62) PLAUPTPN1KDM4ENPC1RAB9A

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
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
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 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 IDO1 3933/4885PLAU 2771/4885NAPRT 1654/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 IDO1 1026/4885PLAU 1684/4885NAPRT 1316/4885

“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.