SCHEMBL10322497

SCHEMBL10322497

O=C(O)c1cc2cnc(N3CCOCC3)nc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ PTPN11 Q06124 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ PRKAB2 O43741 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PRKAG3 Q9UGI9 1/20 0.44
▸ PRKAG2 Q9UGJ0 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ SLC16A3 O15427 1/20 0.41
▸ NRP1 O14786 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ MTOR P42345 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40

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) POLBPTPN11SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10323700 0.87 ALDH1A1 (0.43) POLBPTPN11TSHRALDH1A1AKT1
SCHEMBL10324192 0.85 TNKS (0.43) TSHRALDH1A1KDM4EUSP2CYP1A2
SCHEMBL10323449 0.84 DYRK1A (0.43) ALDH1A1DYRK1ADYRK1B
SCHEMBL10324398 0.83 DYRK1A (0.52) PTPN11ALDH1A1DYRK1ADYRK1B
SCHEMBL10323016 0.80 DYRK1A (0.53) PIK3CAMTORDYRK1ADYRK1B
SCHEMBL10323015 0.80 DYRK1A (0.53) PIK3CAMTORDYRK1ADYRK1B
SCHEMBL10324022 0.77 HSP90AA1 (0.42) TSHRKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL11951912 0.77 SMN1; SMN2 (0.41) POLBPTPN11SMN1; SMN2ALDH1A1AKT1
SCHEMBL10323705 0.76 DHODH (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 6 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
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 — — US 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 POLB 162/4885PTPN11 2012/4885TSHR 4370/4885

“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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