SCHEMBL4099666

SCHEMBL4099666

O=C(O)c1n[nH]c2cnc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
KDM4E B2RXH2 1/20 0.36
PRKAB2 O43741 11/20 0.35
PRKAG1 P54619 11/20 0.35
PRKAA2 P54646 11/20 0.35
PRKAA1 Q13131 11/20 0.35
PRKAG3 Q9UGI9 11/20 0.35
PRKAG2 Q9UGJ0 11/20 0.35
PRKAB1 Q9Y478 11/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
LMNA P02545 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL30587634 0.75 HCAR2 (0.41) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18366320 0.75 HCAR2 (0.41) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4037999 0.74 TYRO3 (0.44) TYRO3DYRK1BKDM4E
SCHEMBL325244 0.72 HCAR2 (0.36) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30116778 0.72 LRRK2 (0.36) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19970146 0.72 TYRO3 (0.42) TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL16525458 0.72 TYRO3 (0.42) TYRO3DYRK1BKDM4E
SCHEMBL30968125 0.72 TYRO3 (0.42) TYRO3DYRK1BKDM4E
SCHEMBL29454447 0.72 TYRO3 (0.42) TYRO3DYRK1BKDM4E
SCHEMBL23064021 0.70 HCAR2 (0.40) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT TYRO3 3142/4885DYRK1B 4861/4885HCAR2 3533/4885

“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.