SCHEMBL6283263

SCHEMBL6283263

COc1ccc(C(=O)Cc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
VNN1 O95497 1/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
F2 P00734 1/20 0.54
SYK P43405 1/20 0.53
AURKB Q96GD4 1/20 0.53
INCENP Q9NQS7 1/20 0.53

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
SCHEMBL28964587 0.94 RAB9A (0.63) RAB9ANPC1KMT2AMEN1VNN1
SCHEMBL28408612 0.83 RAB9A (0.71) RAB9ANPC1KMT2AMEN1SYK
SCHEMBL2051943 0.82 RAB9A (0.75) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL6011931 0.82 RAB9A (0.75) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL7820941 0.81 RAB9A (0.73) RAB9ANPC1SMN1; SMN2PARP10
SCHEMBL11822819 0.81 SYK (0.54) RAB9ANPC1KMT2AHDAC3HDAC4
SCHEMBL10584591 0.81 MEN1 (0.56) RAB9ANPC1KMT2AMEN1VNN1
SCHEMBL29017606 0.80 RAB9A (0.73) RAB9ANPC1KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11622188 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL30333799 0.80 RAB9A (0.73) RAB9ANPC1KMT2AMEN1HPGD

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 15 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-0544812-B1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS UPJOHN CO (US) 1995-04-05 EP 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 RAB9A 958/4885NPC1 1275/4885KMT2A 4107/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 RAB9A 3305/4885NPC1 3258/4885KMT2A 3564/4885

“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.