SCHEMBL3133296

SCHEMBL3133296

CC(C)(C)NC(=O)CNC(=O)c1cc(I)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.36
TP53BP1 Q12888 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL3138266 0.85 ESRRG (0.43) CCR2KDM4EALDH1A1SMN1; SMN2KDM1A
SCHEMBL2458675 0.84 CCR2 (0.47) CCR2KDM4EALDH1A1SMN1; SMN2CCR3
SCHEMBL17556530 0.82 CCR2 (0.44) CCR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3138183 0.81 CCR2 (0.47) CCR2
SCHEMBL15015557 0.78 ALDH1A1 (0.52) CCR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL13753892 0.78 NOS2 (0.43) CCR2KDM4EALDH1A1
SCHEMBL7104333 0.76 L3MBTL1 (0.48) CCR2KDM4EALDH1A1
SCHEMBL2461017 0.73 SIRT6 (0.46) CCR2KDM4EALDH1A1
SCHEMBL3226426 0.73 BRAF (0.45) CCR2KDM4EALDH1A1
SCHEMBL13408851 0.73 HPGD (0.52) CCR2KDM4EALDH1A1

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
US-7807686-B2 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists N.V. ORGANON (NL) 2010-10-05 US disclosed
EP-1861380-B1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS ORGANON NV (NL) 2010-07-07 EP disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 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-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists AVPR2, AVPR1A, AVPR1B CCR2 1973/4885KDM4E 2703/4885ALDH1A1 1928/4885

“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.