SCHEMBL25002904

SCHEMBL25002904

N=C1SCCCN1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.51
CHRNA1 P02708 1/20 0.50
CHRNA7 P36544 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
SIGMAR1 Q99720 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HCRTR1 O43613 1/20 0.39
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 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
SCHEMBL25001916 0.95 CHRNA1 (0.49) INMTCHRNA1CHRNA7L3MBTL1KMT2A
SCHEMBL25002012 0.89 CHRNA1 (0.60) INMTCHRNA1CHRNA7L3MBTL1KMT2A
Bromide SCHEMBL9512786 0.88 CHRNA1 (0.59) INMTCHRNA1CHRNA7L3MBTL1KMT2A
SCHEMBL1520285 0.79 KMT2A (0.55) L3MBTL1KMT2AMEN1SIGMAR1HDAC1
SCHEMBL7503534 0.77 CHRNA7 (0.84) CHRNA1CHRNA7KMT2AMEN1SMN1; SMN2
SCHEMBL22275060 0.77 HDAC1 (0.66) L3MBTL1KMT2AMEN1HDAC1HDAC6
SCHEMBL7507814 0.74 CHRNA7 (0.68) INMTCHRNA1CHRNA7L3MBTL1KMT2A
SCHEMBL11744917 0.73 L3MBTL1 (0.54) INMTL3MBTL1KMT2AMEN1SIGMAR1
SCHEMBL7999126 0.72 CHRNA7 (0.61) INMTCHRNA1CHRNA7L3MBTL1KMT2A
SCHEMBL4182979 0.71 MAPK1 (0.57) L3MBTL1KMT2AMEN1SIGMAR1MAPK1

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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 INMT 2342/4885CHRNA1 4415/4885CHRNA7 3923/4885

“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.