SCHEMBL1713327

SCHEMBL1713327

O=c1[nH]c(Cl)nc2c1ncn2C1CCCCO1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.57
HPGD P15428 2/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APEX1 P27695 1/20 0.46
PI4KA P42356 1/20 0.46
BLM P54132 1/20 0.46
ADCY1 Q08828 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
CYP1A2 P05177 2/20 0.45
TSHR P16473 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
SCHEMBL7430898 0.82 GRIA1 (0.62) HPGDALDH1A1NFKB1HSD17B10PI4KA
SCHEMBL26248824 0.79 ALDH1A1 (0.58) YTHDC1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL179599 0.78 YTHDC1 (0.59) YTHDC1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL29353722 0.77 YTHDC1 (0.72) YTHDC1CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL244963 0.77 YTHDC1 (0.72) YTHDC1CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL20275400 0.77 YTHDC1 (0.72) YTHDC1CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL17262751 0.76 YTHDC1 (0.60) YTHDC1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL9885109 0.76 YTHDC1 (0.74) YTHDC1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL31081006 0.76 YTHDC1 (0.60) YTHDC1HPGDCYP2C19ALDH1A1KMT2A
SCHEMBL21029906 0.76 YTHDC1 (0.47) YTHDC1CYP2C19ALDH1A1KMT2AMEN1

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
EP-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 EP disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 US disclosed
EP-2049544-B1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2010-11-03 EP disclosed
US-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-04-02 US disclosed
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-03-19 US disclosed
US-7462624-B2 Purinone derivatives as HM74a agonists INCYTE CORPORATION (US) 2008-12-09 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 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 (3 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-20090088446-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A YTHDC1 1452/4885HPGD 711/4885CYP2C19 880/4885
US-20090076269-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A YTHDC1 1452/4885HPGD 711/4885CYP2C19 880/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A YTHDC1 1452/4885HPGD 711/4885CYP2C19 880/4885

“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.