SCHEMBL5041102

SCHEMBL5041102

O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 4/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 5/20 0.50
PKM P14618 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
KIF18A Q8NI77 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL5049526 0.93 MAPK1 (0.68) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5049794 0.93 MAPK1 (0.72) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5045362 0.93 MAPK1 (0.60) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5048355 0.91 MAPK1 (0.65) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5047654 0.91 MAPK1 (0.58) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5045309 0.91 KDM4E (0.82) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5046598 0.89 MAPK1 (0.88) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5035035 0.89 MAPK1 (0.55) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5046436 0.88 MAPK1 (0.65) MAPK1KMT2AKDM4EHTTHPGD
SCHEMBL5049378 0.86 MAPK1 (0.57) MAPK1KMT2AKDM4EHTTHPGD

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-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
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 MAPK1 1732/4885KMT2A 3706/4885KDM4E 3638/4885

“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.