SCHEMBL6846376

SCHEMBL6846376

COc1ccc(NC(C)=S)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 6/20 0.58
PABPC1 P11940 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL2397341 0.88 RAB9A (0.58) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL10417850 0.86 KMT2A (0.58) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL50309 0.82 KMT2A (0.67) KMT2AMEN1PABPC1KDM4EMAPT
Cyclopropane SCHEMBL8126236 0.81 NPC1 (0.56) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL10416677 0.81 KDM4E (0.57) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL6819390 0.81 KDM4E (0.64) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL27954442 0.80 KDM4E (0.71) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL9849525 0.79 KDM4E (0.54) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL10404298 0.79 KMT2A (0.67) KMT2AMEN1PABPC1KDM4EMAPT
SCHEMBL3761569 0.79 KMT2A (0.68) KMT2AMEN1PABPC1KDM4EMAPT

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
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KMT2A 3246/4885MEN1 4396/4885PABPC1 2947/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KMT2A 3246/4885MEN1 4396/4885PABPC1 2947/4885

“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.