SCHEMBL3976595

SCHEMBL3976595

CCOC(=O)c1cc2c(-c3cccc(N)c3)ncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
JAK3 P52333 8/20 0.45
JAK2 O60674 7/20 0.45
CSNK1D P48730 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
FGFR1 P11362 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40

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
SCHEMBL3978660 0.83 CAMKK2 (0.47) CSNK1DALDH1A1KDM4EKMT2A
SCHEMBL13109512 0.77 HSP90AB1 (0.56) SMN1; SMN2JAK3JAK2ALDH1A1HSD17B10
SCHEMBL13109530 0.75 HSP90AB1 (0.55) SMN1; SMN2JAK3JAK2ALDH1A1HSD17B10
SCHEMBL3979141 0.75 BRAF (0.68) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL3322113 0.75 HSP90AB1 (0.69) SMN1; SMN2ALDH1A1HSD17B10MAPTRAB9A
SCHEMBL13109609 0.74 HSP90AB1 (0.53) SMN1; SMN2JAK2ALDH1A1HSD17B10MAPT
SCHEMBL5429822 0.73 SELE (0.54) SMN1; SMN2JAK3JAK2ALDH1A1HSD17B10
SCHEMBL13109534 0.73 HSP90AB1 (0.54) SMN1; SMN2ALDH1A1HSD17B10MAPTRAB9A
SCHEMBL13109508 0.73 HSP90AB1 (0.51) SMN1; SMN2ALDH1A1HSD17B10MAPTRAB9A
SCHEMBL15013911 0.72 JAK3 (0.82) JAK3JAK2

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 SMN1; SMN2 4282/4885JAK3 301/4885JAK2 192/4885

“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.