SCHEMBL2760089

SCHEMBL2760089

CCN/C(=N\C#N)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.36
CTSS P25774 5/20 0.35
TSHR P16473 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
MGLL Q99685 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL17992460 0.84 ALDH1A1 (0.36) HTTCTSSCTSKALDH1A1KDM4E
SCHEMBL12619275 0.83 CTSS (0.38) HTTMAPTCTSSCTSKKDM4E
SCHEMBL13701373 0.83 CTSS (0.41) HTTMAPTCTSSCTSKALDH1A1
SCHEMBL13617149 0.80 HTT (0.34) HTTMAPTCTSSTSHRCTSK
SCHEMBL14996224 0.80 CTSS (0.40) HTTMAPTCTSSTSHRCTSK
SCHEMBL2736388 0.79 CTSS (0.36) HTTMAPTCTSSCTSKALDH1A1
SCHEMBL12652971 0.78 POLB (0.40) HTTCTSSCTSKKMT2A
SCHEMBL11989259 0.75 CTSS (0.34) HTTCTSSCTSKKMT2ACTSD
SCHEMBL2760176 0.74 ALDH1A1 (0.36) HTTMAPTALDH1A1KDM4ERECQL
SCHEMBL13545058 0.74 HTT (0.38) HTTCTSSTSHRALDH1A1KDM4E

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-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR HTT 2718/4885MAPT 4820/4885CTSS 3074/4885

“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.