SCHEMBL5258145

SCHEMBL5258145

C=Nc1c(Cl)cncc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.33
GAA P10253 1/20 0.32
ADRB2 P07550 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1552788 0.72 HTT (0.34) CDK2GAAADRB2MAPTHTT
SCHEMBL13770831 0.69 CYP1A2 (0.43) MAPT
SCHEMBL18971594 0.69 CDK2 (0.36) CDK2GAANPSR1
SCHEMBL4704372 0.67
SCHEMBL4848767 0.67 GABRA1 (0.39) CDK2
SCHEMBL28638761 0.67 GAA (0.33) CDK2GAA
SCHEMBL3259977 0.63
SCHEMBL22561740 0.62
SCHEMBL6221841 0.61 P2RX7 (0.33)
SCHEMBL3973904 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US claimed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US claimed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP claimed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO claimed
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 CDK2 88/4885GAA 3296/4885ADRB2 290/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 CDK2 591/4885GAA 3427/4885ADRB2 629/4885

“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.