SCHEMBL6841261

SCHEMBL6841261

Cc1ccc2cc(NC(=O)c3cccc(C(S)c4cnccn4)c3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.57
NPC1 O15118 10/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
BRAF P15056 2/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PLAU P00749 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
PIR O00625 2/20 0.41

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
SCHEMBL6841301 0.81 BRAF (0.57) RAB9ANPC1BRAFSMN1; SMN2TP53
SCHEMBL6844678 0.81 BRAF (0.52) RAB9ANPC1BRAFSMN1; SMN2ALDH1A1
SCHEMBL6846409 0.80 RAB9A (0.43) RAB9ANPC1BRAFCASP3SENP8
SCHEMBL6845327 0.76 SMN1; SMN2 (0.48) RAB9APOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6846660 0.75 NPC1 (0.56) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6841262 0.75 NPC1 (0.56) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6846724 0.74 NPC1 (0.76) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6848384 0.74 RAB9A (0.62) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL6848389 0.74 RAB9A (0.62) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL2176831 0.74 NPC1 (1.00) RAB9ANPC1POLBMEN1KMT2A

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 10 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-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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP 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
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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 RAB9A 1183/4885NPC1 4543/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885NPC1 4543/4885POLB 2588/4885

“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.