SCHEMBL5045362

SCHEMBL5045362

O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
KIF18A Q8NI77 1/20 0.57
KDM4E B2RXH2 5/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 3/20 0.57
MAPT P10636 6/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL5047654 0.93 MAPK1 (0.58) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5041102 0.93 MAPK1 (0.71) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5049378 0.93 MAPK1 (0.57) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5045254 0.93 MAPK1 (0.61) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5045172 0.91 MAPK1 (0.55) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5036063 0.88 KIF18A (0.49) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5044864 0.88 MAPK1 (0.77) MAPK1KIF18AKDM4EKMT2AHTT
SCHEMBL5046705 0.88 CA2 (0.54) MAPK1KDM4EKMT2AHTTMAPT
SCHEMBL5046768 0.88 HSD17B10 (0.56) MAPK1KDM4EKMT2AHTTMAPT
SCHEMBL5049526 0.86 MAPK1 (0.68) MAPK1KDM4EKMT2AHTTMAPT

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 1732/4885KIF18A 2868/4885KDM4E 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.