SCHEMBL5446271

SCHEMBL5446271

O=C1Nc2cccnc2/C1=C\Nc1ccc2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
NTRK1 P04629 2/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
SLK Q9H2G2 2/20 0.42
PIM1 P11309 2/20 0.42
CSNK2A1 P68400 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
STK17A Q9UEE5 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AURKA O14965 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL5191320 1.00 NPC1 (0.45) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3562493 0.81 STK10 (0.51) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5196258 0.81 HTT (0.46) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3562496 0.81 STK10 (0.51) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5460602 0.81 HTT (0.46) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5183615 0.81 EIF2AK2 (0.42) NPC1MEN1MAPTKMT2ANTRK1
SCHEMBL5183612 0.81 EIF2AK2 (0.42) NPC1MEN1MAPTKMT2ANTRK1
SCHEMBL5873877 0.80 MAPT (0.42) NPC1MEN1MAPTKMT2ANTRK1
SCHEMBL5873875 0.80 MAPT (0.42) NPC1MEN1MAPTKMT2ANTRK1
SCHEMBL5873848 0.78 GRM4 (0.42) NPC1MEN1MAPTKMT2ANTRK1

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 15 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
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
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
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 NPC1 4560/4885POLB 4000/4885MEN1 3674/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A NPC1 4854/4885POLB 720/4885MEN1 3806/4885

“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.