SCHEMBL4765438

SCHEMBL4765438

ClCc1nc(Cl)c2c3c(oc2n1)CCCC3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15406756 0.65 MEN1 (0.40) OPRK1KMT2APOLBMEN1ALDH1A1
SCHEMBL2117455 0.58 KMT2A (0.32) KMT2A
SCHEMBL31663129 0.56 KDM4E (0.53) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL9846265 0.56 ALDH1A1 (0.32) ALDH1A1
SCHEMBL81512 0.54 NPC1 (0.32) KMT2A
SCHEMBL4126096 0.53 KDM4E (0.33) OPRK1POLBALDH1A1KDM4E
SCHEMBL914090 0.53 ELANE (0.37) ALDH1A1
SCHEMBL1595304 0.53 MAPK1 (0.41) KMT2AMEN1LMNAKDM4E
SCHEMBL21096156 0.53 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1
SCHEMBL21087040 0.53 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 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-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS OPRK1 1766/4885KMT2A 3733/4885POLB 223/4885

“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.