SCHEMBL2020455

SCHEMBL2020455

Cc1c(C(N)=O)cc2c3c([nH]c2c1C)CCC(C1CCOCC1)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
HTR1B P28222 3/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
ALOX15 P16050 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
IKBKB O14920 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK10 P53779 1/20 0.37
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL2020896 0.83 HTR1B (0.44) JAK2JAK1TYK2JAK3HTR1B
SCHEMBL2020999 0.68 CNR1 (0.40) CNR1CNR2CYP2C9RAB9A
SCHEMBL2044590 0.68 CNR1 (0.41) TP53CASP1CNR1CNR2CYP2C9
SCHEMBL2016008 0.68 KMT2A (0.65) HTR1BHTR1AHTR1DHSD17B10KMT2A
SCHEMBL2044588 0.67 CNR1 (0.43) CNR1CNR2CYP2C9
SCHEMBL2018573 0.67 KMT2A (0.69) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL2020894 0.67 HTR1B (0.56) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL12574206 0.67 KMT2A (0.69) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL12574208 0.67 KMT2A (0.69) HTR1BHTR1AHTR1DKMT2AMEN1
SCHEMBL2020454 0.67 KMT2A (0.52) HTR1BHTR1AHTR1DKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 JAK2 352/4885JAK1 1453/4885TYK2 3525/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 JAK2 266/4885JAK1 547/4885TYK2 1344/4885

“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.