SCHEMBL6701828

SCHEMBL6701828

CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2c(cnn2C)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
BRAF P15056 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
XPO1 O14980 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6288769 0.81 MAPT (0.39) KDM4EMAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL6290024 0.75 ALDH1A1 (0.48) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL6288516 0.73 S1PR2 (0.39) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL10989292 0.73 MEN1 (0.53) KDM4EMEN1MAPTKMT2AGRIN1
SCHEMBL10375330 0.72 KDM4E (0.58) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL6288151 0.72 KDM4E (0.40) KDM4EMEN1MAPTKMT2AHSD17B10
SCHEMBL1085058 0.71 MAPT (0.58) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL2493738 0.71 MAPT (0.65) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL14282096 0.70 PDE4B (0.43) KDM4EMAPTKMT2AHSD17B10SMN1; SMN2
SCHEMBL2373420 0.70 KDM4E (0.49) KDM4EMEN1MAPTKMT2ASMN1; SMN2

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-6734190-B2 REGULATION OF T CELL RESPONSES FOR IMMUNOSUPPRESION WYETH 2004-05-11 US disclosed
US-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 WYETH 2004-02-05 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-20040024008-A1 Dihydrodipyrazolopyridinylbenzamide and -sulfonamide inhibitors of B7-1 CD274, PDCD1, VCAM1 KDM4E 2182/4885MEN1 2790/4885MAPT 4229/4885

“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.