SCHEMBL6757461

SCHEMBL6757461

Cc1cc(C)cc(-c2[nH]c(N)nc2-c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKCE Q02156 1/20 0.48
CAMK2G Q13555 1/20 0.48
DYRK1A Q13627 1/20 0.48
CDK5R1 Q15078 1/20 0.48
RPS6KA1 Q15418 1/20 0.48
AAK1 Q2M2I8 1/20 0.48
MAP3K19 Q56UN5 1/20 0.48
CAMKK1 Q8N5S9 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 3/20 0.45
MAPK14 Q16539 2/20 0.41
TGFBR1 P36897 2/20 0.41
METAP2 P50579 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL6757498 0.86 KDM4E (0.49) KDM4ENPC1TGFBR1METAP2PKM
SCHEMBL8924110 0.81 ESR1 (0.45) KDM4ENPC1TGFBR1METAP2PKM
SCHEMBL6762551 0.81 KDM4E (0.51) KDM4ENPC1TGFBR1METAP2PKM
SCHEMBL6761705 0.81 TGFBR1 (0.44) KDM4ENPC1MAPK14TGFBR1METAP2
SCHEMBL6762500 0.80 GRM5 (0.49) KDM4ENPC1MAPK14TGFBR1METAP2
SCHEMBL6764632 0.79 NPC1 (0.41) KDM4ENPC1MAPK14TGFBR1METAP2
SCHEMBL6759912 0.78 KDM4E (0.40) KDM4ENPC1MAPK14METAP2RAB9A
SCHEMBL29871087 0.77 KDM4E (0.55) KDM4ENPC1L3MBTL1PKMRAB9A
SCHEMBL3851861 0.77 KDM4E (0.55) KDM4ENPC1L3MBTL1PKMRAB9A
SCHEMBL26381075 0.76 GRM5 (0.48) KDM4ENPC1L3MBTL1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US claimed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US claimed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP claimed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO claimed
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (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-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 ULK1 3331/4885CDK7 1296/4885CDK5 1746/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 ULK1 3219/4885CDK7 1408/4885CDK5 1857/4885

“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.