SCHEMBL6829430

SCHEMBL6829430

O=C(c1ccc(Nc2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.54
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
SYK P43405 3/20 0.44
RIPK1 Q13546 1/20 0.44
PLK4 O00444 1/20 0.43
BTK Q06187 1/20 0.43
ROCK2 O75116 2/20 0.43
GABRA5 P31644 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42

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
SCHEMBL6832570 0.90 PRKCI (0.46) TGFBR1ABL1BCRSYKRIPK1
SCHEMBL6179451 0.88 TGFBR1 (0.68) TGFBR1HPGDABL1BCRRIPK1
SCHEMBL6832044 0.80 NR4A1 (0.43) TGFBR1
SCHEMBL6829358 0.78 TGFBR1 (0.44) TGFBR1MAPTHTTSMN1; SMN2POLB
SCHEMBL5907496 0.78 TGFBR1 (0.56) TGFBR1HPGDABL1BCRRIPK1
SCHEMBL6178826 0.78 TGFBR1 (0.56) TGFBR1ABL1BCRPOLBRIPK1
SCHEMBL6832525 0.77 TGFBR1 (0.54) TGFBR1MAPTHTTSMN1; SMN2
SCHEMBL6834671 0.76 PTGS2 (0.47) TGFBR1
SCHEMBL6834641 0.76 NPY5R (0.46) TGFBR1ABL1BCR
SCHEMBL5138421 0.76 JAK2 (0.48) TGFBR1FLT3SYK

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-20040097502-A1 Pyrazoles as tgf inhibitors GELLIBERT FRANCOISE JEANNE (FR) 2004-05-20 US claimed
US-20040097502-A1 Pyrazoles as tgf inhibitors GELLIBERT FRANCOISE JEANNE (FR) 2004-05-20 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-20040097502-A1 Pyrazoles as tgf inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885HPGD 1908/4885MAPT 2758/4885

“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.