SCHEMBL5048795

SCHEMBL5048795

O=C(Nc1cccc(S(=O)(=O)NCc2ccncc2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
CSF1R P07333 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
HSD17B10 Q99714 5/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
NAMPT P43490 3/20 0.46
KDM4E B2RXH2 9/20 0.46
POLB P06746 4/20 0.46
ALDH1A1 P00352 7/20 0.46
CASP1 P29466 3/20 0.46

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
SCHEMBL5046442 0.95 HSD17B10 (0.51) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5049764 0.94 MAPK1 (0.46) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5044953 0.93 KDM4E (0.46) ABL1EGFRCSF1RPDGFRBKIT
SCHEMBL6470158 0.91 MAPK1 (0.57) MAPK1MAPTNAMPTKDM4EPOLB
SCHEMBL5044957 0.90 KDM4E (0.49) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5046777 0.89 HSD17B10 (0.49) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5049472 0.89 HSD17B10 (0.51) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5047035 0.89 HSD17B10 (0.46) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5049978 0.89 HSD17B10 (0.50) HSD17B10TSHRMAPK1NPSR1MAPT
SCHEMBL5049504 0.87 HSD17B10 (0.49) HSD17B10TSHRMAPK1NPSR1MAPT

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 ABL1 1086/4885EGFR 3071/4885CSF1R 1569/4885

“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.