SCHEMBL10446237

SCHEMBL10446237

CCC(=O)c1cccc(NC(=O)c2cc3cnc(CC)nc3[nH]c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.45
▸ DYRK1B Q9Y463 9/20 0.45
▸ BLK P51451 1/20 0.44
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ IRAK1 P51617 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL10446240 0.91 DYRK1A (0.48) DYRK1ADYRK1BMAPTMEN1NPC1
SCHEMBL10446504 0.89 DYRK1A (0.53) DYRK1ADYRK1BL3MBTL1ALDH1A1MAPT
SCHEMBL10446512 0.74 KDM4E (0.41) DYRK1ADYRK1BALDH1A1
SCHEMBL10446629 0.72 DYRK1A (0.45) DYRK1ADYRK1BL3MBTL1ALDH1A1MAPT
SCHEMBL10321615 0.68 RAB9A (0.50) DYRK1ADYRK1BL3MBTL1ALDH1A1MAPT
SCHEMBL15472243 0.67 KMT2A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6686241 0.66 RAB9A (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27825427 0.65 L3MBTL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10330651 0.64 NR1H4 (0.53) ALDH1A1MAPTMEN1NPC1KMT2A
SCHEMBL21639684 0.64 DAO (0.51) MAPTMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD DYRK1A 654/4885DYRK1B 570/4885BLK 1482/4885

“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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