SCHEMBL6848384

SCHEMBL6848384

Cc1ccc2cc(NC(=O)c3cccc(/C=C/c4cccnc4)c3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
GALR2 O43603 1/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL6848389 1.00 RAB9A (0.62) RAB9ANPC1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL6841465 0.81 RAB9A (0.61) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6846724 0.78 NPC1 (0.76) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6846878 0.78 NPC1 (0.57) RAB9ANPC1POLB
SCHEMBL2176831 0.77 NPC1 (1.00) RAB9ANPC1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL6846557 0.77 RAB9A (0.56) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6845337 0.74 NPC1 (0.70) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6841245 0.74 NPC1 (0.70) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6841261 0.74 RAB9A (0.57) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6844800 0.73 NPC1 (0.68) RAB9ANPC1POLBKMT2AMEN1

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 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.