SCHEMBL5048796

SCHEMBL5048796

CS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(OC(F)(F)F)cc4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 6/20 0.53
TSHR P16473 5/20 0.53
HPGD P15428 4/20 0.53
CASP1 P29466 4/20 0.53
HTT P42858 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPK1 P28482 3/20 0.51
USP2 O75604 1/20 0.51
PKM P14618 1/20 0.51
CASP7 P55210 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
GLA P06280 1/20 0.51
THRB P10828 2/20 0.49
NR4A1 P22736 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
SCHEMBL5042369 0.92 KDM4E (0.51) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5049493 0.90 HSD17B10 (0.54) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5049993 0.90 KDM4E (0.66) KDM4EALDH1A1HSD17B10CASP1HTT
SCHEMBL5046768 0.89 HSD17B10 (0.56) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5041180 0.88 KDM4E (0.48) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5032673 0.87 KDM4E (0.46) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5049990 0.87 HSD17B10 (0.51) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5045723 0.86 HSD17B10 (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5048798 0.85 HSD17B10 (0.51) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL5049469 0.85 HSD17B10 (0.49) KDM4EALDH1A1HSD17B10TSHRHPGD

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 KDM4E 3638/4885ALDH1A1 1028/4885HSD17B10 4257/4885

“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.