SCHEMBL852503

SCHEMBL852503

O=C(O)NC(Cc1ccccc1)c1nn[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.67
ECE1 P42892 8/20 0.57
MME P08473 6/20 0.57
CYP1A2 P05177 1/20 0.56
AGTR2 P50052 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.49
MCL1 Q07820 1/20 0.46

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
SCHEMBL20397780 0.88 PIN1 (0.54) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL20397878 0.88 PIN1 (0.54) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL20397877 0.88 PIN1 (0.54) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL20397778 0.88 PIN1 (0.54) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL18262700 0.84 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL13884234 0.84 PIN1 (0.59) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL18262698 0.84 PIN1 (0.54) PIN1ECE1MMEAGTR2NAALAD2
SCHEMBL17007952 0.83 PIN1 (0.49) PIN1ECE1MMECYP1A2AGTR2
SCHEMBL20204233 0.82 PIN1 (0.57) PIN1ECE1MMEAGTR2
SCHEMBL16856563 0.82 PIN1 (0.57) PIN1ECE1MMEAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
EP-3082877-B1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2019-08-28 EP disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-08-30 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
WO-2016203432-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2016-12-22 WO disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 US disclosed
EP-3082877-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2016-10-26 EP disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
WO-2015189791-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2015-12-17 WO disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 WO disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 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 (8 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP PIN1 598/4885ECE1 540/4885MME 448/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM PIN1 1956/4885ECE1 1810/4885MME 1613/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP PIN1 598/4885ECE1 540/4885MME 448/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 PIN1 941/4885ECE1 3183/4885MME 2567/4885
US-20180244717-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP PIN1 598/4885ECE1 540/4885MME 448/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP PIN1 598/4885ECE1 540/4885MME 448/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 PIN1 772/4885ECE1 527/4885MME 420/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 PIN1 772/4885ECE1 527/4885MME 420/4885

“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.