SCHEMBL5460641

SCHEMBL5460641

Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(N)c1)CCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ATM Q13315 1/20 0.61
AKR1C3 P42330 1/20 0.47
RORC P51449 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TP53 P04637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
HTR6 P50406 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAPT P10636 2/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL5474086 0.86 KMT2A (0.53) KMT2AMEN1ATMAKR1C3CYP11B1
SCHEMBL5478377 0.86 HTR6 (0.50) KMT2AMEN1ATMAKR1C3RORC
SCHEMBL5461749 0.86 RORC (0.53) KMT2AMEN1ATMAKR1C3RORC
SCHEMBL5472931 0.85 TP53 (0.49) KMT2AMEN1ATMAKR1C3RORC
SCHEMBL5472746 0.85 KMT2A (0.67) KMT2AMEN1ATMAKR1C3TP53
SCHEMBL5474194 0.84 KMT2A (0.65) KMT2AMEN1ATMAKR1C3TP53
SCHEMBL5468983 0.84 AKR1C3 (0.51) KMT2AMEN1ATMAKR1C3RORC
SCHEMBL5472942 0.83 MEN1 (0.49) KMT2AMEN1ATMAKR1C3CYP11B1
SCHEMBL5467564 0.83 NR3C1 (0.51) KMT2AMEN1ATMAKR1C3RORC
SCHEMBL5478426 0.82 KMT2A (0.57) KMT2AMEN1ATMAKR1C3RORC

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 KMT2A 1132/4885MEN1 1223/4885ATM 2678/4885

“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.