SCHEMBL4890072

SCHEMBL4890072

O=C(Cl)c1ccc(N2CCOCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.56
MAPT P10636 4/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.48
ACLY P53396 1/20 0.48
AKR1C3 P42330 2/20 0.48
KMO O15229 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
SLC16A3 O15427 1/20 0.46
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2088694 0.88 ACLY (0.57) PRKDCMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL8260769 0.86 PRKDC (0.71) PRKDCMAPTPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL4890076 0.86 ACLY (0.56) PRKDCMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL3133550 0.85 MAPT (0.56) PRKDCMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL5063205 0.85 AVPR2 (0.54) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2086265 0.82 PRKDC (0.55) PRKDCMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL2089435 0.82 PRKDC (0.51) PRKDCMAPTPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL7892106 0.82 PRKDC (0.57) PRKDCMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL26666511 0.79 MAPT (0.48) PRKDCMAPTMEN1LMNAHTT
SCHEMBL9864307 0.78 MAPT (0.65) MAPTMEN1LMNAHTTKMT2A

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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 PRKDC 4367/4885MAPT 4383/4885PIK3CD 3219/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 PRKDC 838/4885MAPT 613/4885PIK3CD 366/4885

“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.