SCHEMBL13716855

SCHEMBL13716855

C/N=C(/C=N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ CES2 O00748 4/20 0.33
▸ CES1 P23141 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33

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
SCHEMBL20470769 0.77 AKT1 (0.46) ATMALDH1A1CES2CES1KMT2A
SCHEMBL18868783 0.77 AKT1 (0.46) ATMALDH1A1CES2CES1KMT2A
SCHEMBL19853768 0.77 ATM (0.41) F2F10F12F7F3
SCHEMBL18868913 0.76 CES2 (0.37) ATMALDH1A1CES2CES1KMT2A
SCHEMBL20077791 0.74 DEGS1 (0.41) ATMALDH1A1CES2CES1KMT2A
SCHEMBL24097054 0.71 ATM (0.44) ATMCES2CES1KMT2AMAPK1
SCHEMBL15216219 0.71 ATM (0.35) ATMBLMALDH1A1CES2CES1
SCHEMBL20999159 0.71 AKT1 (0.36) ATMBLMALDH1A1LMNATSHR
SCHEMBL18929539 0.70 ATM (0.34) ATMRECQLEGFR
SCHEMBL20908860 0.70 MEN1 (0.32) ATMKMT2AMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND ADEKA CORPORATION (JP) 2018-02-08 — — US disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 — — EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 — — EP 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-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND DRD4, DRD2, DRD1 F2 501/4885F10 567/4885F12 379/4885

“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.

Send feedback