SCHEMBL9970895

SCHEMBL9970895

Nc1[nH]ncc1-c1cc(S)ncn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ILK Q13418 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
RET P07949 1/20 0.34
PI4KA P42356 1/20 0.34
XDH P47989 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL3583029 0.76 GAA (0.40) LMNAGAAMAPTTDP1KDM4E
SCHEMBL15715965 0.70 LMNA (0.62) LMNAGAAMAPTTDP1KDM4E
SCHEMBL1493367 0.67 LMNA (0.46) LMNAGAAMAPTTDP1KDM4E
SCHEMBL9970857 0.67 PI4KA (0.40) GAAMAPTALDH1A1PI4KAPI4K2B
SCHEMBL5820691 0.64 IDO1 (0.53) LMNAGAAMAPTTDP1KDM4E
SCHEMBL4510667 0.64 LMNA (0.56) LMNAKDM4EILK
SCHEMBL9970894 0.63 ALDH1A1 (0.33) MAPTKDM4EALDH1A1PI4KAPI4K2B
SCHEMBL15658475 0.62 LMNA (0.48) LMNAGAAMAPTTDP1KDM4E
SCHEMBL1156095 0.62
SCHEMBL3651173 0.61

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 LMNA 3788/4885GAA 3582/4885MAPT 1174/4885

“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.