SCHEMBL6435606

SCHEMBL6435606

C[C@H](NC(=O)c1ccc2c(=O)[nH]cnc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
RPS6KA3 P51812 1/20 0.49
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 1/20 0.46
ROCK2 O75116 1/20 0.45
DHFR P00374 5/20 0.44
CA2 P00918 3/20 0.43
FPGS Q05932 2/20 0.43
CA1 P00915 2/20 0.43
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 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
SCHEMBL5770694 0.83 HTT (0.49) ALDH1A1CA2CA1HTTKDM4C
SCHEMBL6775104 0.81 NPC1 (0.45) ALDH1A1ROCK2SMN1; SMN2
SCHEMBL2116618 0.80 HDAC6 (0.61) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL263941 0.78 PARP1 (0.58) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL13908150 0.77 SLC2A1 (0.77) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL31067306 0.76 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL265032 0.76 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL2656961 0.74 NPC1 (0.59) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL30205640 0.74 PARP1 (0.57) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL2315757 0.74 PARP1 (0.57) PARP1CHEK1PIM1RPS6KA3SLC2A1

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
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 US disclosed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 US disclosed
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO disclosed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 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-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors PDE7A, PDE9A, PDE3A PARP1 1504/4885CHEK1 2739/4885PIM1 3349/4885

“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.