SCHEMBL1679587

SCHEMBL1679587

COc1ccc(CSc2nc(N3CC=CC3)c3ncn(C)c3n2)cc1N=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.32
LMNA P02545 4/20 0.32
HPGD P15428 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA1 P30542 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
TOP2A P11388 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
SCHEMBL10192909 0.88 ALDH1A1 (0.34) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL98994 0.86 GAA (0.36) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL98956 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL10193369 0.84 PIK3CA (0.32) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1679227 0.82 ALDH1A1 (0.32) ALDH1A1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1674720 0.82 PIK3CA (0.31) ALDH1A1
SCHEMBL99191 0.82 CCNE2 (0.43) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL1679746 0.81 ALDH1A1 (0.34) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL1677201 0.75 MAPT (0.31) MAPT
SCHEMBL99087 0.75 PIK3CA (0.46) ALDH1A1LMNAHPGDL3MBTL1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD ALDH1A1 336/4885MAPT 4571/4885LMNA 3984/4885

“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.