SCHEMBL685083

SCHEMBL685083

O=C1/C(=C\c2ccc[nH]2)c2ccccc2N1CN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
ALDH1A1 P00352 7/20 0.44
TP53 P04637 1/20 0.44
ALDH3A1 P30838 7/20 0.43
BCHE P06276 1/20 0.43
KDR P35968 3/20 0.42
RET P07949 2/20 0.42
PDGFRB P09619 2/20 0.42
FLT3 P36888 2/20 0.42
JAK3 P52333 2/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL490223 0.99 CA1 (0.55) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL490225 0.99 CA1 (0.55) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL3911160 0.89 ALDH3A1 (0.59) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL3911162 0.89 ALDH3A1 (0.59) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL3986882 0.89 ALDH1A1 (0.59) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL3986887 0.89 ALDH1A1 (0.59) CA1CA2ALDH1A1ALDH3A1BCHE
SCHEMBL3911110 0.80 KDR (0.48) ALDH1A1TP53KDRRETPDGFRB
SCHEMBL3911113 0.80 KDR (0.48) ALDH1A1TP53KDRRETPDGFRB
SCHEMBL5817331 0.78 CA1 (0.50) CA1CA2ALDH1A1TP53ALDH3A1
SCHEMBL5817327 0.78 CA1 (0.50) CA1CA2ALDH1A1TP53ALDH3A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331546-B1 CXCR4 INHIBITOR FOR THE TREATMENT OF CANCER BIOKINE THERAPEUTICS LTD (IL) 2023-10-04 EP disclosed
US-20180221393-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES KREOS CAPITAL V (EXPERT FUND) L.P. (JE) 2018-08-09 US disclosed
US-20180221393-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES KREOS CAPITAL V (EXPERT FUND) L.P. (JE) 2018-08-09 US disclosed
WO-2017021963-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES BIOKINE THERAPEUTICS LTD. (IL) 2017-02-09 WO disclosed
US-20150056186-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT HOFFMANN-LA ROCHE INC. (US) 2015-02-26 US disclosed
US-20150056186-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT HOFFMANN-LA ROCHE INC. (US) 2015-02-26 US disclosed
US-20120276085-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT Hoffman-La Roche. Inc. (US) 2012-11-01 US disclosed
US-20120276085-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT Hoffman-La Roche. Inc. (US) 2012-11-01 US disclosed
US-20110287006-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT Hoffman-La Roche. Inc. (US) 2011-11-24 US disclosed
US-20110086025-A1 Combination Therapy of a Type II Anti-CD20 Antibody with an Anti-BCL-2 Active Agent Hoffman-La Roche. Inc. (US) 2011-04-14 US disclosed
US-20110086025-A1 Combination Therapy of a Type II Anti-CD20 Antibody with an Anti-BCL-2 Active Agent Hoffman-La Roche. Inc. (US) 2011-04-14 US disclosed
US-20090098118-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT ROCHE GLYCART AG (CH) 2009-04-16 US disclosed
US-20090098118-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT ROCHE GLYCART AG (CH) 2009-04-16 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 (6 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-20150056186-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT BAK1, BCL2, BCL3 CA1 889/4885CA2 231/4885ALDH1A1 3813/4885
US-20110287006-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT BAK1, BCL2, BCL3 CA1 889/4885CA2 231/4885ALDH1A1 3813/4885
US-20120276085-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT BAK1, BCL2, BCL3 CA1 889/4885CA2 231/4885ALDH1A1 3813/4885
US-20110086025-A1 Combination Therapy of a Type II Anti-CD20 Antibody with an Anti-BCL-2 Active Agent BAK1, BCL2, BCL3 CA1 889/4885CA2 231/4885ALDH1A1 3813/4885
US-20180221393-A1 CXCR4 BINDING AGENTS FOR TREATMENT OF DISEASES CXCL12, CXCR4, CXCR1 CA1 3303/4885CA2 3875/4885ALDH1A1 2395/4885
US-20090098118-A1 COMBINATION THERAPY OF A TYPE II ANTI-CD20 ANTIBODY WITH AN ANTI-BCL-2 ACTIVE AGENT BAK1, BCL2, BCL3 CA1 870/4885CA2 224/4885ALDH1A1 3809/4885

“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.