SCHEMBL676232

SCHEMBL676232

CN1CCN(C(=O)CCC(=O)c2ccc3[nH]c4nccc(Cl)c4c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.53
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 5/20 0.44
MCHR1 Q99705 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
ERBB2 P04626 1/20 0.41
PTK6 Q13882 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3723793 0.83 PARP1 (0.43) ALKHTTSMN1; SMN2PARP1MEN1
SCHEMBL675016 0.83 HTT (0.48) HTTSMN1; SMN2PARP1MCHR1HRH4
SCHEMBL3731934 0.82 PARP1 (0.42) ALKHTTSMN1; SMN2PARP1ERBB2
SCHEMBL674904 0.82 HTT (0.49) HTTSMN1; SMN2PARP1MCHR1HRH4
SCHEMBL675910 0.81 PARP1 (0.46) ALKPARP1ERBB2PTK6
SCHEMBL676739 0.81 ALK (0.51) ALKHTTSMN1; SMN2PARP1
SCHEMBL676740 0.81 ALK (0.51) ALKHTTSMN1; SMN2PARP1
SCHEMBL3728130 0.74 HTT (0.43) HTTSMN1; SMN2PARP1
SCHEMBL3731938 0.74 HTT (0.41) ALKHTTSMN1; SMN2PARP1HRH4
SCHEMBL3722441 0.74 HTT (0.44) HTTSMN1; SMN2PARP1HRH4HRH3

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 ALK 1/4885HTT 4100/4885SMN1; SMN2 3499/4885

“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.