SCHEMBL1161417

SCHEMBL1161417

COc1ccc2nc(C)ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.59
NCF1 P14598 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
NQO1 P15559 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
F2 P00734 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
NQO2 P16083 1/20 0.47

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
SCHEMBL12361591 0.85 EGFR (0.59) EGFRNCF1NPC1RAB9ACASP3
SCHEMBL31391456 0.82 PDE3B (0.48) NCF1NPC1RAB9ANQO1MAPT
SCHEMBL30473108 0.82 MIF (0.49) EGFRNCF1ALDH1A1
SCHEMBL3428021 0.80 EGFR (0.57) EGFRNCF1NPC1RAB9ANQO1
SCHEMBL13362648 0.80 EGFR (0.57) EGFRNCF1NPC1RAB9ANQO1
SCHEMBL1571317 0.80 ALDH1A1 (0.59) EGFRNCF1NPC1RAB9ANQO1
SCHEMBL31391369 0.80 PDE10A (0.46) EGFRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8438748 0.79 DHFR (0.45) EGFRNQO1MAPTPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL28007029 0.79 ALDH1A1 (0.57) EGFRNCF1NPC1RAB9ANQO1
Hydrochloric Acid SCHEMBL28130485 0.79 EGFR (0.56) EGFRNCF1NPC1RAB9ANQO1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US claimed
EP-4731216-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2026-04-29 EP disclosed
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors AUGUSTINE THERAPEUTICS (BE) 2025-09-23 US disclosed
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-05-08 US disclosed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US disclosed
WO-2024261328-A1 AMIDE-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
WO-2024261329-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 US disclosed
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 US disclosed
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2019-01-01 US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 US disclosed
EP-2461683-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2012-06-13 EP disclosed
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 US disclosed
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 US disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 WO disclosed
WO-2011017561-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2011-02-10 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 (7 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-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 EGFR 1265/4885NCF1 2458/4885NPC1 620/4885
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 EGFR 1265/4885NCF1 2458/4885NPC1 620/4885
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 EGFR 1991/4885NCF1 2264/4885NPC1 365/4885
US-10166250-B2 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 EGFR 2765/4885NCF1 2976/4885NPC1 691/4885
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors HDAC6, HDAC9, HDAC1 EGFR 2243/4885NCF1 2252/4885NPC1 916/4885
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS TUBA1C, TUBB1, TUBB3 EGFR 2856/4885NCF1 1427/4885NPC1 553/4885
US-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 EGFR 1991/4885NCF1 2264/4885NPC1 365/4885

“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.