SCHEMBL1479640

SCHEMBL1479640

C#Cc1ncccc1C(N)=O.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
MKNK2 Q9HBH9 8/20 0.46
PLK4 O00444 1/20 0.46
MAP4K4 O95819 1/20 0.46
EGFR P00533 1/20 0.46
ROS1 P08922 1/20 0.46
PIM1 P11309 1/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46
FRK P42685 1/20 0.46
MAP4K2 Q12851 1/20 0.46
NTRK3 Q16288 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
AURKB Q96GD4 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
STK17A Q9UEE5 1/20 0.46
ALK Q9UM73 1/20 0.46
MKNK1 Q9BUB5 7/20 0.41
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL1476864 0.98 PARP1 (0.46) PARP1MKNK2PLK4MAP4K4EGFR
SCHEMBL12754874 0.91 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL835282 0.86 KDM4E (0.47) KDM4EALDH1A1LMNASMN1; SMN2RORB
SCHEMBL1477619 0.85 PARP1 (0.37) PARP1MKNK2PLK4MAP4K4EGFR
SCHEMBL1477295 0.85 RORB (0.38) PARP1MKNK2PLK4MAP4K4EGFR
SCHEMBL1477041 0.81 TDP1 (0.45) KDM4EALDH1A1HPGDMEN1MAPT
Hydrochloric Acid SCHEMBL1476697 0.80 MEN1 (0.41) SMN1; SMN2RORBMEN1KMT2A
Hydrochloric Acid SCHEMBL1477231 0.80 TDP1 (0.44) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL834846 0.78 TSHR (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1477415 0.77 PLCG1 (0.37) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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 (1 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 PARP1 4694/4885MKNK2 3333/4885PLK4 2958/4885

“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.