SCHEMBL13746324

SCHEMBL13746324

COc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4)cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.44
▸ PTPN11 Q06124 4/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ KIT P10721 2/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ NEK1 Q96PY6 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL13745732 0.91 KDR (0.49) KDRPTPN11MAOB
SCHEMBL13745666 0.90 KDR (0.40) KDRPTPN11BRD4MAOBKIT
SCHEMBL13746292 0.86 GSK3B (0.34) PTPN11KIT
SCHEMBL13745703 0.85 KDR (0.38) KDRPTPN11SRC
SCHEMBL13745729 0.83 GSK3B (0.36) KDRPTPN11
SCHEMBL13745686 0.82 KDR (0.35) KDRPTPN11
SCHEMBL13745726 0.82 BRD4 (0.37) KDRBRD4
SCHEMBL13746204 0.81 KDR (0.41) KDRPTPN11BRD4MAOB
SCHEMBL13746285 0.81 KIT (0.34) PTPN11KIT
SCHEMBL13745690 0.80 GSK3B (0.34) —

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-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 KDR 3757/4885PTPN11 1694/4885BRD4 1339/4885

“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.

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