SCHEMBL7123593

SCHEMBL7123593

Cc1cc2[nH]cc(-c3ccccc3)c(=O)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HTT P42858 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
IMPDH2 P12268 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35

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
SCHEMBL1923969 0.69 PARP1 (0.58) PARP1ALDH1A1PIM1HTTIMPDH2
SCHEMBL2157249 0.69 PRKAB2 (0.44) PARP1ALDH1A1PIM1PIM2HTT
SCHEMBL5777832 0.67 PARP1 (0.50) PARP1ALDH1A1HTTPDE4APDE4B
SCHEMBL2156336 0.67 HTT (0.51) ALDH1A1HTTHPGDMAPK1KDM4E
SCHEMBL7261298 0.67 POLB (0.53) ALDH1A1PDE3BPDE3AHPGDMAPK1
SCHEMBL16475094 0.66 PARP1 (0.48) PARP1ALDH1A1HTTPDE4APDE4B
SCHEMBL7256716 0.66 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2KDM4EEGFR
SCHEMBL7262282 0.66 ABCG2 (0.55) ALDH1A1HTTPDE4BHPGDSMN1; SMN2
SCHEMBL13312371 0.66 IMPDH2 (0.55) PARP1IMPDH2PRKAB2PRKAG1PRKAA2
SCHEMBL16459160 0.66 CAMK2D (0.49) PARP1IMPDH2EGFRSRCJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101328186-A Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER PROD INC (US) 2008-12-24 CN disclosed
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
CN-1280580-A Thienopyrimidine and thienopyridine derivatives as anticancer agents PFIZER PROD INC (US) 2001-01-17 CN disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 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 (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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 PARP1 45/4885ALDH1A1 226/4885PIM1 1105/4885

“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.