SCHEMBL2736382

SCHEMBL2736382

CC(C)c1ccc(CN/C(=N\C#N)N2CCOCC2)o1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CTSS P25774 13/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
FKBP1A P62942 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL2760176 0.86 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13701373 0.74 CTSS (0.41) ALDH1A1CTSSMAPTSMN1; SMN2
SCHEMBL2760089 0.72 HTT (0.50) ALDH1A1CTSSNPC1RAB9AMAPT
SCHEMBL14996224 0.72 CTSS (0.40) ALDH1A1CTSSMAPTSMN1; SMN2
SCHEMBL2736388 0.71 CTSS (0.36) ALDH1A1CTSSMAPTSMN1; SMN2
SCHEMBL12619275 0.69 CTSS (0.38) CTSSMAPTSMN1; SMN2
SCHEMBL13617149 0.67 HTT (0.34) CTSSMAPTSMN1; SMN2
SCHEMBL19229610 0.65 HTT (0.54) ALDH1A1NPC1MAPTSMN1; SMN2HRH3
SCHEMBL11989259 0.65 CTSS (0.34) CTSS
SCHEMBL12652971 0.65 POLB (0.40) CTSS

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 ALDH1A1 4357/4885CTSS 3074/4885NPC1 2504/4885

“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.