SCHEMBL9970894

SCHEMBL9970894

Cn1cc(-c2cc(S)ncn2)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.31
EGFR P00533 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1A1 P48729 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
MAPT P10636 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL16320749 0.65 ALDH1A1 (0.46) ALDH1A1MAP4K4EGFRFRKMAPK9
SCHEMBL19782246 0.64
SCHEMBL9970895 0.63 LMNA (0.41) ALDH1A1KDM4EMAPTPI4KAPI4K2B
SCHEMBL8267917 0.61 ADORA3 (0.50) ALDH1A1RPS6KA5EGFRMAPT
SCHEMBL23212174 0.60 MEN1 (0.55) ALDH1A1RPS6KA5KDM4EMAPT
SCHEMBL1156095 0.60
SCHEMBL461974 0.59
SCHEMBL3651173 0.59
SCHEMBL17610305 0.59 CSNK1D (0.57) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL17619716 0.58 TAAR1 (0.43) MAP4K4KDM4EMAPT

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK ALDH1A1 3998/4885RPS6KA5 508/4885MAP4K4 141/4885

“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.