SCHEMBL5045309

SCHEMBL5045309

COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.82
HTT P42858 4/20 0.82
KMT2A Q03164 4/20 0.82
MAPK1 P28482 2/20 0.68
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
TSHR P16473 4/20 0.55
CASP1 P29466 3/20 0.55
CASP7 P55210 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
HPGD P15428 3/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL5049794 0.91 MAPK1 (0.72) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5041102 0.91 MAPK1 (0.71) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5049526 0.88 MAPK1 (0.68) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5046436 0.88 MAPK1 (0.65) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5048355 0.88 MAPK1 (0.65) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5048338 0.86 KMT2A (0.61) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5045254 0.84 MAPK1 (0.61) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5045362 0.84 MAPK1 (0.60) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5047654 0.83 MAPK1 (0.58) KDM4EHTTKMT2AMAPK1ALDH1A1
SCHEMBL5047758 0.83 MAPK1 (0.85) KDM4EHTTKMT2AMAPK1ALDH1A1

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-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 KDM4E 3638/4885HTT 2091/4885KMT2A 3706/4885

“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.