SCHEMBL17204516

SCHEMBL17204516

CCOC(=O)/C=C(\N)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL17204517 1.00 NAPRT (0.49) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL30172789 1.00 NAPRT (0.49) NAPRTCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL17168992 0.83 CYP19A1 (0.42) KMT2ANPSR1GAAALDH1A1CYP19A1
SCHEMBL8949899 0.83 MAPT (0.47) KMT2ATSHRNPSR1ALDH1A1MAPK1
SCHEMBL8949906 0.83 MAPT (0.47) KMT2ATSHRNPSR1ALDH1A1MAPK1
SCHEMBL701469 0.78 NAPRT (0.59) NAPRTCYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL30225124 0.78 NAPRT (0.59) NAPRTCYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL7916715 0.78 F7 (0.50) KMT2APOLBGAAALDH1A1LMNA
SCHEMBL6629937 0.78 F7 (0.50) KMT2APOLBGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL30543987 0.77 NAPRT (0.57) NAPRTCYP1A2CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647718-B2 Compounds and use thereof in the expansion of hematopoietic stem cells and/or hematopoietic progenitor cells Universitéde Montréal (CA) 2020-05-12 US disclosed
US-10647718-B2 Compounds and use thereof in the expansion of hematopoietic stem cells and/or hematopoietic progenitor cells Universitéde Montréal (CA) 2020-05-12 US disclosed
EP-3134409-B1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIV MONTREAL (CA) 2020-02-12 EP disclosed
EP-3134409-B1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIV MONTREAL (CA) 2020-02-12 EP disclosed
EP-3134409-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS Université de Montréal (CA) 2017-03-01 EP disclosed
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2017-02-09 US disclosed
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2017-02-09 US disclosed
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2017-02-09 US disclosed
WO-2015161373-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS Université de Montréal (CA) 2015-10-29 WO disclosed
WO-2015161373-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS Université de Montréal (CA) 2015-10-29 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-10647718-B2 Compounds and use thereof in the expansion of hematopoietic stem cells and/or hematopoietic progenitor cells HPGDS, HCLS1, THPO NAPRT 148/4885CYP1A2 730/4885CYP3A4 1384/4885
US-20170037047-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS AND/OR HEMATOPOIETIC PROGENITOR CELLS HPGDS, HCLS1, THPO NAPRT 148/4885CYP1A2 730/4885CYP3A4 1384/4885

“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.