SCHEMBL5047718

SCHEMBL5047718

CCOc1cc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)ccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
KDM4E B2RXH2 4/20 0.72
HTT P42858 1/20 0.72
MAPK1 P28482 1/20 0.72
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.48
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 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
SCHEMBL5048338 0.93 KMT2A (0.61) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5049476 0.89 MAPK1 (0.77) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5045539 0.89 MAPT (0.58) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5049989 0.89 MAPT (0.57) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5044761 0.88 MAPT (0.56) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5045928 0.86 MAPT (0.53) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5047758 0.86 MAPK1 (0.85) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5041073 0.85 MAPT (0.53) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5046623 0.84 KDM4E (0.56) KMT2AKDM4EHTTMAPK1MAPT
SCHEMBL5132977 0.84 KMT2A (0.50) KMT2AKDM4EHTTMAPK1MAPT

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 KMT2A 3706/4885KDM4E 3638/4885HTT 2091/4885

“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.