SCHEMBL20063047

SCHEMBL20063047

NC(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.73
RAB9A P51151 13/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
SMN1; SMN2 Q16637 5/20 0.72
PKM P14618 4/20 0.72
MAOB P27338 1/20 0.72
ADORA2A P29274 1/20 0.72
IRAK4 Q9NWZ3 2/20 0.70
ALDH1A1 P00352 1/20 0.67
SCD O00767 1/20 0.66
TP53 P04637 2/20 0.65
CYP3A4 P08684 1/20 0.63
OPRK1 P41145 1/20 0.62
KLF5 Q13887 1/20 0.62
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL11703862 0.93 NPC1 (0.83) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11703126 0.88 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13076211 0.87 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24845490 0.85 RAB9A (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3926899 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7348401 0.84 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31329354 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2248250 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8558926 0.84 RAB9A (0.81) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9963858 0.83 RAB9A (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2023-09-26 US disclosed
US-20210188783-A1 SUBSTITUTED BENZIMIDAZOLES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA KINASE DUKE UNIVERSITY 2021-06-24 US disclosed
US-10927083-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2021-02-23 US disclosed
US-20190263759-A1 SUBSTITUTED BENZIMIDAZOLE AND BENZOTHIAZOLE INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA KINASE AND METHODS OF USE THEREOF DUKE UNIVERSITY 2019-08-29 US disclosed
US-10207998-B2 Substituted benzimidazole and substituted benzothiazole inhibitors of transforming growth factor-β kinase and methods of use thereof DUKE UNIVERSITY (US) 2019-02-19 US disclosed
US-20180105500-A1 NOVEL INHIBITORS OF TRANSFORMING GROWTH FACTOR KINASE AND METHODS OF USE THEREOF DUKE UNIVERSITY 2018-04-19 US disclosed
US-20180105500-A1 NOVEL INHIBITORS OF TRANSFORMING GROWTH FACTOR KINASE AND METHODS OF USE THEREOF DUKE UNIVERSITY 2018-04-19 US 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 (6 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-20190263759-A1 SUBSTITUTED BENZIMIDAZOLE AND BENZOTHIAZOLE INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA KINASE AND METHODS OF USE THEREOF TAB1, TGFBR1, SMAD2 NPC1 3411/4885RAB9A 4205/4885MEN1 2746/4885
US-10207998-B2 Substituted benzimidazole and substituted benzothiazole inhibitors of transforming growth factor-β kinase and methods of use thereof TAB1, TGFBR1, SMAD3 NPC1 2287/4885RAB9A 4298/4885MEN1 2669/4885
US-10927083-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase TAB1, TGFBR1, CHUK NPC1 2466/4885RAB9A 3596/4885MEN1 3250/4885
US-20210188783-A1 SUBSTITUTED BENZIMIDAZOLES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA KINASE TAB1, TGFBR1, CHUK NPC1 2781/4885RAB9A 3655/4885MEN1 2955/4885
US-20180105500-A1 NOVEL INHIBITORS OF TRANSFORMING GROWTH FACTOR KINASE AND METHODS OF USE THEREOF TAB1, BMP2K, SMAD3 NPC1 2677/4885RAB9A 4012/4885MEN1 2966/4885
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase TAB1, CHUK, TGFBR1 NPC1 2076/4885RAB9A 3987/4885MEN1 2265/4885

“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.