SCHEMBL6793320

SCHEMBL6793320

O=C(O)COCCc1nc(Cl)c2c3c(sc2n1)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.47
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ALDH1A1 P00352 5/20 0.41
PRNP P04156 1/20 0.41
HIF1A Q16665 2/20 0.41
ABCB1 P08183 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL6801253 0.88 KMT2A (0.54) KMT2AGAAKDM4EMEN1CSNK2A2
SCHEMBL6790737 0.81 KMT2A (0.49) KMT2AKDM4EMEN1CSNK2A2CSNK2B
SCHEMBL6798810 0.79 MAPT (0.45) KMT2AGAAKDM4EMEN1CSNK2A2
SCHEMBL6795549 0.79 PDE5A (0.54) KMT2AGAAKDM4EMEN1ALDH1A1
SCHEMBL6797413 0.79 KMT2A (0.56) KMT2AGAAKDM4EMEN1CSNK2A2
SCHEMBL6791788 0.79 PTGS2 (0.44) KMT2AGAAKDM4EMEN1CSNK2A2
SCHEMBL5253644 0.78 KMT2A (0.53) KMT2AGAAKDM4EMEN1CSNK2A2
SCHEMBL6798804 0.77 KMT2A (0.62) KMT2AGAAKDM4EMEN1ALDH1A1
SCHEMBL6797560 0.77 KMT2A (0.49) KMT2AKDM4EMEN1CSNK2A2CSNK2B
SCHEMBL6796947 0.77 MEN1 (0.45) KMT2AGAAKDM4EMEN1CSNK2A2

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-6780867-B2 THEY EXHIBIT SPECIFIC INHIBITION OF CGMP PHOSPHODIESTERASE (PDE V) MERCK PATENT GMBH (DE) 2004-08-24 US disclosed
US-20030187260-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2003-10-02 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 (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-20030187260-A1 Thienopyrimidines TYMP, DPYD, IMPDH1 KMT2A 3197/4885GAA 2071/4885KDM4E 2723/4885

“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.