SCHEMBL10077253

SCHEMBL10077253

CC(=O)Nc1ccc2nc3c(=O)[nH]c(=O)[nH]c3nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
POLB P06746 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
BLM P54132 3/20 1.00
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 9/20 0.57
RAB9A P51151 5/20 0.57
PABPC1 P11940 2/20 0.57
NPC1 O15118 2/20 0.57
ADORA1 P30542 1/20 0.56
RGS12 O14924 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
CYP2C19 P33261 1/20 0.56
CASP7 P55210 1/20 0.56
PMP22 Q01453 1/20 0.56

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
SCHEMBL31307805 1.00 MAPT (1.00) MAPTPOLBTDP1BLMMEN1
SCHEMBL18048120 0.77 KDM4E (0.66) MAPTPOLBTDP1BLMMEN1
SCHEMBL18048094 0.77 KDM4E (0.66) MAPTPOLBTDP1BLMMEN1
SCHEMBL498444 0.77 TDP1 (0.66) MAPTPOLBTDP1BLMMEN1
SCHEMBL498701 0.77 TDP1 (0.66) MAPTPOLBTDP1BLMMEN1
Alloxazine SCHEMBL8745680 0.77 BLM (0.81) MAPTPOLBTDP1BLMMEN1
SCHEMBL18048095 0.77 TDP1 (0.62) MAPTPOLBTDP1BLMMEN1
SCHEMBL29373310 0.77 TDP1 (0.62) MAPTPOLBTDP1BLMMEN1
SCHEMBL18048112 0.77 TDP1 (0.62) MAPTPOLBTDP1BLMMEN1
SCHEMBL18048102 0.77 TDP1 (0.62) MAPTPOLBTDP1BLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177827-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION 2021-06-17 US disclosed
US-20210177827-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION 2021-06-17 US disclosed
WO-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 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 (1 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-20210177827-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF PARP15, PAPSS1, PGA5 MAPT 3447/4885POLB 604/4885TDP1 51/4885

“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.