SCHEMBL6282334

SCHEMBL6282334

Cc1cc(C(=O)Cc2ccncc2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.50
BLM P54132 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NAMPT P43490 2/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM1 Q13255 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.38
MAPT P10636 1/20 0.38
MMP13 P45452 1/20 0.38
GRIN2B Q13224 2/20 0.38

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
SCHEMBL6284274 0.86 CCNC (0.51) NPC1RAB9AL3MBTL1NAMPTKDM4E
SCHEMBL5353997 0.86 NAMPT (0.51) BLMNPC1RAB9AL3MBTL1NAMPT
SCHEMBL2645324 0.77 LTA4H (0.58) NPC1RAB9AL3MBTL1NAMPTKMT2A
SCHEMBL2512740 0.77 RAB9A (0.64) NPC1RAB9AL3MBTL1NAMPTPOLB
SCHEMBL7143886 0.77 RAB9A (0.51) NPC1RAB9AL3MBTL1NAMPTKMT2A
SCHEMBL6281618 0.76 GAA (0.59) NPC1RAB9AL3MBTL1NAMPTGRM1
Hydrochloric Acid SCHEMBL5253545 0.76 LTA4H (0.56) NPC1RAB9AL3MBTL1NAMPTKMT2A
SCHEMBL4621038 0.75 PIM1 (0.55) PIM1KDM4EPOLBKMT2ASRC
SCHEMBL8256684 0.75 PIM1 (0.55) PIM1L3MBTL1KDM4EPOLBKMT2A
SCHEMBL1156959 0.75 CES2 (0.50) NPC1NAMPTKDM4EKMT2AALDH1A1

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 6 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-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 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 PIM1 3250/4885BLM 4655/4885NPC1 1275/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PIM1 586/4885BLM 4850/4885NPC1 3258/4885

“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.