SCHEMBL15077934

SCHEMBL15077934

c1ccc(-c2nnc3ccc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)nn23)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.83
LMNA P02545 3/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 6/20 0.59
HSD17B10 Q99714 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
APAF1 O14727 1/20 0.55
PIM1 P11309 2/20 0.53
ALOX15 P16050 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL2266047 0.85 DPP4 (0.65) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL11539600 0.84 HSD17B10 (0.74) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL2265175 0.82 DPP4 (0.62) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL11750772 0.82 PIM1 (0.75) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL2265218 0.81 MAPT (0.72) DPP4LMNAHPGDHSD17B10KDM4E
SCHEMBL2268962 0.81 DPP4 (0.64) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL10965004 0.80 PIM1 (0.76) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL2265039 0.79 DPP4 (0.58) DPP4LMNAKMT2AHPGDHSD17B10
SCHEMBL2266395 0.79 DPP4 (0.58) DPP4LMNAHPGDHSD17B10KDM4E
SCHEMBL2268605 0.77 MAPT (0.65) DPP4LMNAHPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-27 US disclosed
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-23 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
WO-2013096820-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-06-27 WO 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 (4 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-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 DPP4 4227/4885LMNA 4082/4885KMT2A 2921/4885
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 DPP4 4227/4885LMNA 4082/4885KMT2A 2921/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 DPP4 4227/4885LMNA 4082/4885KMT2A 2921/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 DPP4 4227/4885LMNA 4082/4885KMT2A 2921/4885

“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.