SCHEMBL19748680

SCHEMBL19748680

N#Cc1cnc(N2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.57
PARP1 P09874 2/20 0.51
PARP2 Q9UGN5 1/20 0.51
RIPK1 Q13546 1/20 0.47
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
CHRM4 P08173 2/20 0.39
LCAT P04180 2/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL3787776 0.80 GPR119 (0.57) PANK3GPR119CKS1BSKP1SKP2
SCHEMBL29631957 0.80 PANK3 (0.55) PANK3CKS1BSKP1SKP2
SCHEMBL18855709 0.79 AR (0.46) PANK3PARP1PARP2RIPK1JAK2
SCHEMBL26127143 0.78 CTSS (0.46) PANK3PARP1PARP2CKS1BSKP1
SCHEMBL27226900 0.78 GPR119 (0.54) PANK3RIPK1GPR119
SCHEMBL19748850 0.78 PANK3 (0.61) PANK3PARP1PARP2CHRM4
SCHEMBL2894290 0.78 AOC3 (0.45) PANK3PARP1LCAT
SCHEMBL24242896 0.77 AR (0.49) PANK3PARP1PARP2RIPK1JAK2
SCHEMBL3787774 0.77 CHRM4 (0.49) PANK3PARP1PARP2RIPK1JAK2
SCHEMBL20355456 0.77 PANK3 (0.46) PANK3PARP1PARP2RIPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 EP disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
EP-3474667-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES St. Jude Children's Research Hospital, Inc. (US) 2019-05-01 EP disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
WO-2017223474-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-12-28 WO disclosed
CN-101287722-A Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2008-10-15 CN 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 (2 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-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885PARP1 500/4885PARP2 421/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885PARP1 500/4885PARP2 421/4885

“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.