SCHEMBL3594281

SCHEMBL3594281

CCOC(=O)c1cc(Cl)c(Cl)nc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
GLP1R P43220 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 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
SCHEMBL3589944 0.83 KDM4E (0.53) KDM4ETSHRTDP1MAPTHSD17B10
SCHEMBL4737125 0.80 KDM4E (0.56) CYP4F2CYP4A11BAZ2BBAZ2ACASP1
SCHEMBL4737926 0.77 CYP4F2 (0.55) CYP4F2CYP4A11BAZ2BBAZ2ACASP1
SCHEMBL29076972 0.75 TSHR (0.50) KDM4ETSHRTDP1HSD17B10ALDH1A1
SCHEMBL3591506 0.75 KDM4E (0.53) KDM4ETSHRTDP1MAPTHSD17B10
SCHEMBL124872 0.74 TSHR (0.43) KDM4ETSHRHSD17B10CA1CA2
SCHEMBL236240 0.74 CYP4F2 (0.57) CYP4F2CYP4A11BAZ2BBAZ2AKDM4E
SCHEMBL16433573 0.74 KDM4E (0.48) KDM4ETSHRMAPTALDH1A1MAPK1
SCHEMBL127223 0.73 TSHR (0.45) KDM4ETSHRHSD17B10ALDH1A1ALOX15
SCHEMBL19601383 0.73 KDM4E (0.54) KDM4ETSHRTDP1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (3 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 CYP4F2 459/4885CYP4A11 157/4885BAZ2B 3057/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 CYP4F2 1343/4885CYP4A11 331/4885BAZ2B 2854/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 CYP4F2 166/4885CYP4A11 51/4885BAZ2B 3060/4885

“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.