SCHEMBL10324192

SCHEMBL10324192

CN1CCN(c2ncc3cc(C(=O)O)c(=O)[nH]c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.43
▸ HTR3A P46098 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ CYP1A2 P05177 7/20 0.41
▸ HSD17B10 Q99714 7/20 0.41
▸ CASP1 P29466 7/20 0.41
▸ USP2 O75604 5/20 0.41
▸ CASP7 P55210 5/20 0.41
▸ TSHR P16473 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ GLA P06280 2/20 0.38
▸ HIF1A Q16665 2/20 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
SCHEMBL10322984 0.88 ALDH1A1 (0.46) ALDH1A1HSD17B10CASP1HCAR2DYRK1A
SCHEMBL10322497 0.85 POLB (0.50) ALDH1A1CYP1A2HSD17B10USP2TSHR
SCHEMBL10323449 0.84 DYRK1A (0.43) ALDH1A1CASP1HCAR2DYRK1AHDAC1
SCHEMBL10324398 0.83 DYRK1A (0.52) ALDH1A1CASP1HCAR2DYRK1AHDAC1
SCHEMBL10322786 0.79 KDM4E (0.45) TNKSHTR3AHRH4ALDH1A1CYP1A2
SCHEMBL10322954 0.78 HTR3A (0.46) TNKSHTR3AHRH4ALDH1A1USP2
SCHEMBL10323015 0.78 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL10323016 0.78 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL10323489 0.78 DYRK1A (0.55) DYRK1ADYRK1B
SCHEMBL10324431 0.78 DYRK1A (0.39) ALDH1A1DYRK1ADYRK1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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 TNKS 247/4885HTR3A 875/4885HRH4 3628/4885

“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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