SCHEMBL4854253

SCHEMBL4854253

CCOC(=O)c1cnc(SC)nc1Nc1c(F)cccc1F

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
MAPK1 P28482 1/20 0.72
ALDH1A1 P00352 7/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SYK P43405 2/20 0.66
LMNA P02545 1/20 0.61
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
FOS P01100 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SIRT5 Q9NXA8 1/20 0.52
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 3/20 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
SCHEMBL6338112 0.83 SYK (0.80) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1313596 0.83 SYK (0.79) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14315396 0.82 MAPK1 (0.50) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6631911 0.81 ALDH1A1 (0.60) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3848560 0.81 MAPT (0.78) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24774356 0.81 MAPT (0.65) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2627185 0.80 SYK (1.00) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14981500 0.80 SYK (0.78) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29545771 0.80 ALDH1A1 (0.70) HTTMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1521842 0.80 ALDH1A1 (0.70) HTTMAPK1ALDH1A1MAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 HTT 3447/4885MAPK1 1957/4885ALDH1A1 566/4885

“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.