SCHEMBL4540050

SCHEMBL4540050

CC(C)(NC(=O)c1cnc(-n2cc(I)cn2)nc1O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.49
CNR1 P21554 5/20 0.43
CNR2 P34972 4/20 0.43
TACR3 P29371 1/20 0.40
ALKBH1 Q13686 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GPR142 Q7Z601 1/20 0.34
PHGDH O43175 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
SCHEMBL4531709 0.88 EGLN1 (0.64) EGLN1CNR1CNR2ALKBH1
SCHEMBL3410878 0.83 EGLN1 (0.63) EGLN1CNR1CNR2TACR3
SCHEMBL14809600 0.79 EGLN1 (0.44) EGLN1TACR3ALKBH1HDAC3HDAC1
SCHEMBL3409150 0.75 EGLN1 (0.56) EGLN1CNR1CNR2HDAC3HDAC1
SCHEMBL3409230 0.74 EGLN1 (0.55) EGLN1CNR1CNR2GPR142
SCHEMBL3409730 0.73 EGLN1 (0.61) EGLN1CNR1CNR2TACR3HDAC3
SCHEMBL3410582 0.71 EGLN1 (0.64) EGLN1CNR1CNR2TACR3HDAC3
SCHEMBL3408179 0.70 EGLN1 (0.61) EGLN1CNR1CNR2TACR3
SCHEMBL3408688 0.70 EGLN1 (0.48) EGLN1CNR1CNR2
SCHEMBL4530398 0.70 EGLN1 (0.50) EGLN1HDAC3HDAC1HDAC2HDAC6

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-2257539-B1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-09-10 EP disclosed
US-8278304-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides MERCK SHARP & DOHME LLC 2009-09-24 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-20090239876-A1 Substituted 4-Hydroxypyrimidine-5-Carboxamides HIF1AN, EGLN2, EGLN3 EGLN1 5/4885CNR1 692/4885CNR2 396/4885

“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.