SCHEMBL4281447

SCHEMBL4281447

O=C(Nc1c[nH]nc1C(=O)NCCOc1ccccc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.47
EPHX2 P34913 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4279912 0.97 KMT2A (0.51) TSHRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4293142 0.90 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4279961 0.87 KMT2A (0.51) SMN1; SMN2KMT2AMEN1EPHX2KDM4E
SCHEMBL4284474 0.87 GRM4 (0.47) TSHRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4281575 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4290849 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4286948 0.85 KMT2A (0.50) SMN1; SMN2MAPK1KMT2AMEN1EPHX2
SCHEMBL4287623 0.85 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1EPHX2KDM4E
SCHEMBL4279804 0.85 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1EPHX2KDM4E
SCHEMBL4283208 0.84 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP TSHR 2251/4885NPC1 1266/4885RAB9A 291/4885

“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.