SCHEMBL1633206

SCHEMBL1633206

COc1cccc2cnc(O)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
MCHR1 Q99705 1/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
NQO2 P16083 4/20 0.44
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL7747283 0.80 MCHR1 (0.51) HPGDSMCHR1JAK2JAK1TYK2
SCHEMBL1039857 0.79 MCHR1 (0.59) HPGDSMCHR1JAK2JAK1TYK2
SCHEMBL13313220 0.79 MCHR1 (0.50) HPGDSMCHR1JAK2JAK1TYK2
SCHEMBL558755 0.79 ALDH1A1 (0.50) HPGDSMCHR1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28039648 0.77 ALDH1A1 (0.49) HPGDSMCHR1JAK2JAK1TYK2
SCHEMBL13439479 0.77 MCHR1 (0.49) HPGDSMCHR1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28214471 0.77 MCHR1 (0.49) HPGDSMCHR1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28214494 0.77 MCHR1 (0.49) HPGDSMCHR1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28214496 0.77 MCHR1 (0.49) HPGDSMCHR1JAK2JAK1TYK2
SCHEMBL13313218 0.76 JAK2 (0.59) HPGDSMCHR1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161844-A1 USE OF HPK1 INHIBITOR IN TREATMENT OF INTERFERON-RELATED DISEASES 智宠制药(北京)有限公司 2023-08-31 WO disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (1 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 HPGDS 1419/4885MCHR1 4292/4885JAK2 1352/4885

“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.