SCHEMBL19642872

SCHEMBL19642872

COc1cc(Br)nc(NC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAP4K4 O95819 1/20 0.38
ROS1 P08922 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38

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
SCHEMBL27408521 0.85 KDM4E (0.49) ADORA3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL23089432 0.81 ABL1 (0.54) ADORA3NPC1RAB9AALDH1A1MAPT
SCHEMBL29814852 0.81 ABL1 (0.54) ADORA3NPC1RAB9AALDH1A1MAPT
SCHEMBL19657732 0.80 LCK (0.41) ADORA3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13727358 0.79 LCK (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17963905 0.75 SORT1 (0.33) ADORA3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL18103921 0.75 ALDH1A1 (0.37) ADORA3RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1424927 0.74 LMNA (0.51) KDM4EALDH1A1MAPTRECQL
SCHEMBL1424963 0.73 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23885090 0.73 CFD (0.42) CYP3A4

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
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
US-20220041588-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2022-02-10 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
EP-3464270-A2 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (5 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-20220041588-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ABL1, ERBB2 ADORA3 1408/4885NPC1 3649/4885RAB9A 901/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 ADORA3 3503/4885NPC1 548/4885RAB9A 2455/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 ADORA3 3560/4885NPC1 504/4885RAB9A 2590/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 ADORA3 3560/4885NPC1 504/4885RAB9A 2590/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 ADORA3 3560/4885NPC1 504/4885RAB9A 2590/4885

“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.