SCHEMBL30754697

SCHEMBL30754697

c1ccc2c(-n3cccn3)ccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
MAPK1 P28482 1/20 0.59
NCF1 P14598 2/20 0.49
ADRB2 P07550 1/20 0.49
BMP4 P12644 1/20 0.44
AR P10275 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
KMT2A Q03164 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PDE10A Q9Y233 1/20 0.41
GRM4 Q14833 4/20 0.41
KCNH2 Q12809 2/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL957883 1.00 NPC1 (0.59) NPC1MAPK1NCF1ADRB2BMP4
SCHEMBL28275208 0.91 NPC1 (0.50) NPC1MAPK1NCF1ADRB2BMP4
SCHEMBL26216334 0.79 ALK (0.44) NPC1MAPK1NCF1ADRB2SLC40A1
SCHEMBL26216337 0.79 NCF1 (0.52) NPC1MAPK1NCF1SLC40A1KDM4E
SCHEMBL8673731 0.76 NCF1 (0.46) NCF1ADRB2BMP4ARLMNA
SCHEMBL31525897 0.75 LMNA (0.51) NPC1MAPK1SLC40A1KDM4EMEN1
SCHEMBL859717 0.74 MAPK1 (1.00) NPC1MAPK1NCF1KDM4EMEN1
SCHEMBL4341886 0.74 MAPK1 (0.67) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL15072236 0.74 PTK2 (0.47) NPC1MAPK1ALDH1A1LMNAGRM4
SCHEMBL7798721 0.73 NCF1 (0.54) NPC1MAPK1NCF1ADRB2KDM4E

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-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2026-03-17 US disclosed
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 AGOMAB SPAIN S.L.U. (ES) 2023-11-23 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 (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-12577230-B2 2-(3-pyridin-2-yl-4-quinolin-4-yl-pyrazol-1-yl)- acetamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR1, TGFBR2, ACVR1 NPC1 2968/4885MAPK1 344/4885NCF1 3213/4885
US-20230373966-A1 2-(3-PYRIDIN-2-YL-4-QUINOLIN-4-YL-PYRAZOL-1-YL)-ACETAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 ACVR1, ACVRL1, TGFBR2 NPC1 4415/4885MAPK1 1095/4885NCF1 3645/4885

“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.