SCHEMBL4357845

SCHEMBL4357845

NC(=O)c1c[nH]c2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
ATM Q13315 1/20 0.59
DYRK1A Q13627 6/20 0.49
GSK3B P49841 4/20 0.49
NFATC1 O95644 4/20 0.49
SIRT3 Q9NTG7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HASPIN Q8TF76 1/20 0.46
MAP2 P11137 1/20 0.46
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
IKBKE Q14164 1/20 0.43
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIM1 P11309 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
SCHEMBL6343173 0.89 ALDH1A1 (0.46) ALDH1A1ATMDYRK1AGSK3BNFATC1
SCHEMBL3887018 0.87 DYRK1A (0.46) ALDH1A1ATMDYRK1AGSK3BNFATC1
SCHEMBL22049722 0.86 ALDH1A1 (0.59) ALDH1A1ATMSIRT3TDP1HASPIN
SCHEMBL30101234 0.86 DYRK1A (0.51) ALDH1A1DYRK1AGSK3BNFATC1TDP1
SCHEMBL2052704 0.86 DYRK1A (0.51) ALDH1A1DYRK1AGSK3BNFATC1TDP1
SCHEMBL22300127 0.83 DYRK1A (0.49) DYRK1AGSK3BNFATC1HASPINPDPK1
SCHEMBL30924488 0.83 HASPIN (0.64) DYRK1AGSK3BNFATC1HASPINKDM4E
SCHEMBL3217902 0.83 HASPIN (0.64) DYRK1AGSK3BNFATC1HASPINKDM4E
SCHEMBL2628950 0.81 CYP2D6 (0.48) DYRK1AGSK3BNFATC1HASPINPDPK1
Potassium Ion SCHEMBL1762988 0.80 DYRK1A (0.46) DYRK1AGSK3BNFATC1HASPINPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 US disclosed
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed
CN-109476641-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2019-03-15 CN disclosed
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885ATM 110/4885DYRK1A 4056/4885

“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.