SCHEMBL13814573

SCHEMBL13814573

COc1cc(NC(=O)CBr)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL23120213 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL29663590 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL14839608 0.85 MEN1 (0.50) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL8751487 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL10658526 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL28044046 0.84 MTNR1B (0.56) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9730148 0.82 GRM4 (0.56) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL853330 0.81 ALDH1A1 (0.56) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL29594166 0.81 ALDH1A1 (0.56) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL13176003 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A

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-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — 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 (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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SMN1; SMN2 2348/4885CYP1A2 2387/4885CYP2C19 2383/4885

“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.

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