SCHEMBL822916

SCHEMBL822916

N#Cc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 8/20 0.57
HDAC6 Q9UBN7 7/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC4 P56524 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
P2RX7 Q99572 1/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP19A1 P11511 1/20 0.45
CTSL P07711 1/20 0.44

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
SCHEMBL23631373 0.89 YTHDC1 (0.50) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL822875 0.87 PDE8A (0.56) YTHDC1
SCHEMBL5465713 0.84 P2RX7 (0.56) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL5461215 0.82 HDAC6 (0.60) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL13596788 0.82 HDAC6 (0.57) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL5459615 0.82 HDAC6 (0.60) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL183057 0.81 YTHDC1 (0.68) YTHDC1HDAC1HDAC2HDAC8P2RX7
SCHEMBL30898278 0.81 YTHDC1 (0.68) YTHDC1HDAC1HDAC2HDAC8P2RX7
SCHEMBL30677470 0.80 P2RX7 (0.60) YTHDC1HDAC6HDAC1HDAC4HDAC3
SCHEMBL15315258 0.80 YTHDC1 (0.46) YTHDC1HDAC6HDAC1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903987-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2017-09-20 EP disclosed
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
US-9540407-B2 Phospholipid drug analogs UROGEN PHARMA LTD (IL) 2017-01-10 US disclosed
EP-2563404-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2016-09-21 EP disclosed
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
US-9359360-B2 TLR agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-07 US disclosed
EP-1931352-B1 TLR AGONISTS UNIV CALIFORNIA (US) 2016-04-13 EP disclosed
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2016-03-31 US disclosed
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC, AS COLLATERAL AGENT (GB) 2016-03-31 US disclosed
CN-101790380-A The conjugate and the application thereof of synthetic TLR agonist UNIV CALIFORNIA 2010-07-28 CN disclosed
US-20090324551-A1 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2009-12-31 US disclosed
US-20090324551-A1 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2009-12-31 US disclosed
EP-2125007-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR Regents of the University of California (US) 2009-12-02 EP disclosed
CN-101304748-A Tlr agonists UNIV CALIFORNIA (US) 2008-11-12 CN disclosed
WO-2008115319-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-25 WO disclosed
WO-2008115319-A2 CONJUGATES OF SYNTHETIC TLR AGONISTS AND USES THEREFOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-25 WO disclosed
EP-1931352-A2 TLR AGONISTS The Regents of the University of California Office of Technology Transfer (US) 2008-06-18 EP disclosed
WO-2007024707-A2 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 WO disclosed
WO-2007024707-A2 TLR AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-03-01 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 (2 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-20090324551-A1 TLR AGONISTS TLR3, TLR1, TLR5 YTHDC1 3900/4885HDAC6 263/4885HDAC1 2269/4885
US-20160090395-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 YTHDC1 4672/4885HDAC6 1462/4885HDAC1 1401/4885

“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.