SCHEMBL25822610

SCHEMBL25822610

Brc1cnc2ccc(-c3c[nH]nc3-c3ccccn3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TGFBR1 P36897 10/20 0.35
PIM1 P11309 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KLF5 Q13887 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MAPK14 Q16539 1/20 0.33
BIRC5 O15392 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL26003339 0.87 PRKD3 (0.41) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL23418360 0.86 NPC1 (0.36) NPC1KDM4ETGFBR1PIM1SMN1; SMN2
SCHEMBL25822607 0.86 NPC1 (0.42) NPC1KDM4ETGFBR1PIM1SMN1; SMN2
SCHEMBL29796651 0.84 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL23389883 0.84 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL5138250 0.84 NPC1 (0.51) NPC1KDM4ETGFBR1SMN1; SMN2RAB9A
SCHEMBL25822579 0.82 TGFBR1 (0.42) NPC1KDM4ETGFBR1PIM1RAB9A
SCHEMBL5985411 0.82 TDO2 (0.52) NPC1KDM4ETGFBR1PIM1RAB9A
SCHEMBL5138443 0.79 TGFBR1 (0.46) NPC1KDM4ETGFBR1PIM1SMN1; SMN2
SCHEMBL5138087 0.78 TDO2 (0.38) NPC1KDM4ETGFBR1PIM1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 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 (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-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A NPC1 3796/4885KDM4E 946/4885TGFBR1 211/4885

“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.