SCHEMBL6846426

SCHEMBL6846426

Cc1cc(NC(=O)c2cccc(C(S)c3ncnc4[nH]ncc34)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 11/20 0.47
NPC1 O15118 9/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6841265 0.80 FLT3 (0.45) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL6841314 0.79 MEN1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6846476 0.79 MAOB (0.49) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL6846523 0.76 NPC1 (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6846446 0.76 PAK1 (0.35) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6846427 0.76 NPC1 (0.50) CYP1A2CYP2C19RAB9ANPC1MEN1
SCHEMBL6848426 0.75 FLT3 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6846866 0.75 ROCK2 (0.43) LMNAGAATSHRMAPK1
SCHEMBL6846602 0.75 SLC29A1 (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6844805 0.74 HPGD (0.50) CYP1A2CYP2C19NPC1ALDH1A1LMNA

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 7 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 claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
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 CYP1A2 4207/4885CYP2C19 4456/4885RAB9A 1183/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYP1A2 4207/4885CYP2C19 4456/4885RAB9A 1183/4885

“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.