SCHEMBL678858

SCHEMBL678858

O=C(SCCCO)c1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MAP2 P11137 1/20 0.37
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
CCKBR P32239 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
ERBB2 P04626 1/20 0.34
PTK6 Q13882 1/20 0.34
PKM P14618 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
JAK2 O60674 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
SCHEMBL676913 0.84 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAP2
SCHEMBL674907 0.78 GSK3B (0.44) KDM4EALDH1A1HPGDMAP2POLB
SCHEMBL674892 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDMAP2POLB
SCHEMBL675229 0.76 ERBB2 (0.53) ALDH1A1MAP2POLBKMT2ACCKBR
SCHEMBL13463989 0.76 MAP2 (0.41) KDM4EALDH1A1HPGDHSD17B10MAP2
SCHEMBL13460920 0.75 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL675443 0.74 MAP2 (0.44) KDM4EALDH1A1HPGDHSD17B10MAP2
SCHEMBL674851 0.73 MAP2 (0.49) KDM4EALDH1A1HPGDMAP2POLB
SCHEMBL676178 0.73 GRM5 (0.46) ALDH1A1HPGDMAPTERBB2PTK6
SCHEMBL676105 0.72 KMT2A (0.36) KDM4EALDH1A1HPGDHSD17B10MAP2

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 4 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-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 KDM4E 2789/4885ALDH1A1 749/4885HPGD 4079/4885

“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.