SCHEMBL22224331

SCHEMBL22224331

Cc1nc(Cl)c2nc(C)[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.41
PDK4 Q16654 1/20 0.40
CSNK2A1 P68400 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTT P42858 1/20 0.37
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12592351 0.83 CSNK2A1 (0.38) PDK2CSNK2A1ADORA3HTTPARP1
Hydrochloric Acid SCHEMBL31329224 0.81 CSNK2A1 (0.37) PDK2CSNK2A1ADORA3HTTPARP1
SCHEMBL6358280 0.79 CSNK2A1 (0.36) CSNK2A1ADORA3HTTPARP1KDM4E
SCHEMBL12496434 0.74 ADORA3 (0.38) CSNK2A1ADORA3
Hydrochloric Acid SCHEMBL22418855 0.74 ADORA3 (0.38) CSNK2A1ADORA3
SCHEMBL20564 0.74 ADORA3 (0.38) CSNK2A1ADORA3PARP1KDM4EKMT2A
SCHEMBL9544738 0.71 ADORA3 (0.40) CSNK2A1ADORA3HTTPARP1KDM4E
SCHEMBL2508107 0.70 MGAM (0.56) PARP1KDM4E
SCHEMBL6474573 0.70 CSNK2A1 (0.38) CSNK2A1ADORA3HTTPARP1
SCHEMBL11012250 0.69 KDR (0.48) KDM4EMEN1KMT2ACYP1A2CYP2C19

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-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. 2020-07-16 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-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, CKMT1A; CKMT1B PDK2 448/4885PDK4 555/4885CSNK2A1 2422/4885

“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.