SCHEMBL5196258

SCHEMBL5196258

O=C1Nc2ncccc2C1=CNc1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.46
HPGD P15428 1/20 0.46
STK10 O94804 1/20 0.46
SLK Q9H2G2 1/20 0.46
MAPT P10636 3/20 0.46
APP P05067 2/20 0.46
SNCA P37840 2/20 0.46
NPC1 O15118 5/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CTRC Q99895 1/20 0.42
RAF1 P04049 1/20 0.42
NTRK1 P04629 1/20 0.42
PABPC1 P11940 1/20 0.41
RAB9A P51151 3/20 0.39
PIK3CD O00329 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL5460602 1.00 HTT (0.46) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL3562493 0.88 STK10 (0.51) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL3562496 0.88 STK10 (0.51) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5437897 0.88 NPC1 (0.41) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5437902 0.88 NPC1 (0.41) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5172633 0.87 NPC1 (0.43) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5432246 0.87 NPC1 (0.43) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5427351 0.85 JAK3 (0.44) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL5168964 0.85 JAK3 (0.44) HTTALDH1A1APAF1HPGDSTK10
SCHEMBL7007610 0.84 PABPC1 (0.44) HTTALDH1A1HPGDSTK10SLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US claimed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US claimed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP claimed
JP-2003502280-A 2003-01-21 JP claimed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP claimed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 WO claimed
US-20070213403-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2007-09-13 US disclosed
EP-1773309-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS Forskarpatent i Syd AB (SE) 2007-04-18 EP disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
WO-2006004545-A1 TAMOXIFEN RESPONSE IN PRE-AND POSTMENOPAUSAL BREAST CANCER PATIENTS FORSKARPATENT I SYD AB (SE) 2006-01-12 WO disclosed
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US disclosed
US-6624171-B1 Useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar- palmar syndrome, mucositis) induced by chemotherapy and/or radiation therapy SMITHKLINE BEECHAM CORPORATION 2003-09-23 US disclosed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 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-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 HTT 2711/4885ALDH1A1 3290/4885APAF1 1780/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A HTT 4413/4885ALDH1A1 1625/4885APAF1 1163/4885

“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.