SCHEMBL6288518

SCHEMBL6288518

CCOC(=O)c1c(-c2cncc(Br)c2)nc2c(cnn2C)c1NNc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
PTGES O14684 1/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 2/20 0.36
S1PR2 O95136 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL6288516 0.82 S1PR2 (0.39) ALDH1A1ALDH1A2ALDH1A3MAPTHSD17B10
SCHEMBL4772359 0.68 KDM4E (0.45) SMN1; SMN2ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL16505555 0.65 NPC1 (0.48) ALDH1A1MAPTMAPK1PTGESHSD17B10
SCHEMBL6701828 0.65 KDM4E (0.49) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL6288769 0.63 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTHSD17B10S1PR2
SCHEMBL6290563 0.63 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4770110 0.63 LMNA (0.53) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL4772765 0.63 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTHTTMAPK1
SCHEMBL4778595 0.61 PDE4B (0.44) SMN1; SMN2ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4771734 0.61 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTHTTMAPK1

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-6900223-B2 Dihydrodipyrazolopyridinone inhibitors of B7-1 WYETH (US) 2005-05-31 US disclosed
US-20040044024-A1 Dihydrodipyrazolopyridinone inhibitors of B7-1 WYETH (US) 2004-03-04 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-20040044024-A1 Dihydrodipyrazolopyridinone inhibitors of B7-1 CD274, PDCD1, PDCD1LG2 SMN1; SMN2 3581/4885ALDH1A1 53/4885ALDH1A2 465/4885

“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.