SCHEMBL5560822

SCHEMBL5560822

COc1ccc(C2=NNC(=O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.61
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
PDE4B Q07343 4/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
BACE1 P56817 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
PKM P14618 2/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL2644154 0.86 GSTP1 (0.51) AXLMAPTLMNANPY1RNPY2R
SCHEMBL1375479 0.85 MAPT (0.67) MAPTLMNANPY1RNPY2RPDE4B
SCHEMBL20279531 0.80 AXL (0.67) AXLMAPTLMNANPY1RNPY2R
SCHEMBL8800856 0.80 SMN1; SMN2 (0.73) AXLMAPTLMNANPY1RNPY2R
SCHEMBL3775165 0.79 PDE4B (0.76) AXLMAPTPDE4BPDE4APDE4C
SCHEMBL13335345 0.77 AXL (0.67) AXLMAPTLMNANPY1RNPY2R
SCHEMBL11846026 0.77 AXL (0.92) AXLMAPTLMNANPY1RNPY2R
SCHEMBL5561070 0.77 AXL (0.67) AXLMAPTLMNANPY1RNPY2R
SCHEMBL5561143 0.77 AXL (0.67) AXLMAPTLMNAPDE3BPDE3A
SCHEMBL2375581 0.76 AXL (1.00) AXLMAPTLMNAPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021009384-A1 NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2021-01-21 WO disclosed
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-06-21 US disclosed
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-06-21 US disclosed
WO-2016205460-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-12-22 WO disclosed
US-7262201-B1 For the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals ASTRAZENECA AB (SE) 2007-08-28 US disclosed
EP-1119567-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-04 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 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-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS KRAS, HRAS, RALA AXL 3499/4885MAPT 3522/4885LMNA 3476/4885

“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.