SCHEMBL2736388

SCHEMBL2736388

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.36
HTT P42858 3/20 0.33
CTSK P43235 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL13701373 0.81 CTSS (0.41) CTSSHTTCTSKPKMSMN1; SMN2
SCHEMBL2760089 0.79 HTT (0.50) CTSSHTTCTSKSMN1; SMN2MAPT
SCHEMBL14996224 0.79 CTSS (0.40) CTSSHTTCTSKPKMSMN1; SMN2
SCHEMBL12619275 0.75 CTSS (0.38) CTSSHTTCTSKSMN1; SMN2MAPT
SCHEMBL13617149 0.73 HTT (0.34) CTSSHTTCTSKSMN1; SMN2MAPT
SCHEMBL2736382 0.71 ALDH1A1 (0.35) CTSSSMN1; SMN2MAPTALDH1A1
SCHEMBL11989259 0.69 CTSS (0.34) CTSSHTTCTSKPKMHPGD
SCHEMBL12652971 0.69 POLB (0.40) CTSSHTTCTSKPKMHPGD
SCHEMBL2760176 0.68 ALDH1A1 (0.36) HTTPKMSMN1; SMN2MAPTALDH1A1
SCHEMBL13378875 0.64 SMN1; SMN2 (0.37) CTSSHTTSMN1; SMN2MAPTALDH1A1

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 CTSS 3074/4885HTT 2718/4885CTSK 1752/4885

“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.