SCHEMBL6484895

SCHEMBL6484895

O=C(O)c1scnc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
KDR P35968 3/20 0.42
SOS1 Q07889 1/20 0.41
KMO O15229 3/20 0.40
SCN9A Q15858 2/20 0.39
PPARG P37231 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK8 P49336 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL6476638 0.80 HAO1 (0.43)
SCHEMBL31311234 0.74 KMO (0.50) KMONPC1RAB9ACSNK2A1
SCHEMBL2333146 0.74 PTGER4 (0.47) EGFRKDRSOS1SCN9ASMN1; SMN2
SCHEMBL2336921 0.74 RAB9A (0.54) EGFRRAB9ASMN1; SMN2
SCHEMBL6474570 0.73 SMN1; SMN2 (0.44) KDRNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL6482506 0.70 HAO1 (0.44) SMN1; SMN2
SCHEMBL4345160 0.69 SOS1 (0.65) EGFRKDRSOS1NPC1MAPT
SCHEMBL6476346 0.69 LMNA (0.42) MAPT
SCHEMBL30026239 0.66 MCL1 (0.61) PPARGNPC1MAPTMAPK1HSD17B10
SCHEMBL1576408 0.66 MCL1 (0.61) PPARGNPC1MAPTMAPK1HSD17B10

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-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US claimed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US claimed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US claimed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US claimed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US 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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 EGFR 3675/4885KDR 2363/4885SOS1 2915/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A EGFR 3923/4885KDR 2872/4885SOS1 3014/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B EGFR 3996/4885KDR 2283/4885SOS1 3943/4885

“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.