SCHEMBL6499370

SCHEMBL6499370

CCOC(=O)c1cccc(N2CCC(N)CC2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
CLK2 P49760 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CAMK2D Q13557 1/20 0.48
DYRK1A Q13627 1/20 0.48
PIM3 Q86V86 1/20 0.48
AURKB Q96GD4 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
STK17A Q9UEE5 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
LGMN Q99538 1/20 0.42
MAPT P10636 4/20 0.42
TTR P02766 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL6502007 0.89 TSHR (0.45) TSHRALDH1A1HSD17B10MAPTTTR
SCHEMBL6506469 0.83 HCRTR2 (0.43) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL6500965 0.80 OPRK1 (0.51) ALDH1A1MAPTOPRK1HTTKMT2A
SCHEMBL7211156 0.76 KMT2A (0.43) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL7467330 0.75 TSHR (0.70) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL382395 0.74 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10MAPTOPRK1
SCHEMBL6501171 0.72 ATM (0.56) PRKD3MAP4K4PIM1CLK2MAP4K2
SCHEMBL27701838 0.72 NPC1 (0.45) ALDH1A1HSD17B10LGMNMAPTKDM4E
SCHEMBL28353455 0.72 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTKDM4E
SCHEMBL28965465 0.72 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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 (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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 PRKD3 1383/4885MAP4K4 3703/4885PIM1 3207/4885

“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.