SCHEMBL5470943

SCHEMBL5470943

CNC(=O)c1ccc2c(c1)CN(c1cc(S(=O)(=O)N3CCCc4ccccc43)ccc1Cl)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 4/20 0.55
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
LMNA P02545 6/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.47
AKR1C3 P42330 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL5461096 0.91 KMT2A (0.61) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5466678 0.89 MAPT (0.51) GNRHRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5467367 0.87 KMT2A (0.52) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5467352 0.85 KMT2A (0.59) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5471890 0.84 KMT2A (0.54) GNRHRKMT2AMEN1ALDH1A1TP53
SCHEMBL5461670 0.84 GNRHR (0.53) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5468959 0.84 KMT2A (0.53) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5470980 0.84 KMT2A (0.52) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5474826 0.83 KMT2A (0.53) GNRHRKMT2AMEN1LMNAALDH1A1
SCHEMBL5464280 0.82 KMT2A (0.51) GNRHRKMT2AMEN1LMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 GNRHR 2/4885KMT2A 1132/4885MEN1 1223/4885

“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.