SCHEMBL19082954

SCHEMBL19082954

Cc1nccnc1CNc1ncnc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.52
HDAC6 Q9UBN7 1/20 0.49
TTBK1 Q5TCY1 9/20 0.47
TTBK2 Q6IQ55 9/20 0.47
HPGDS O60760 1/20 0.43
TNNI3K Q59H18 1/20 0.41

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
SCHEMBL19082969 0.82 CLK2 (0.40) PTK2HDAC6
SCHEMBL19082967 0.78 ALDH1A1 (0.57) PTK2HPGDS
SCHEMBL29829404 0.78 ALDH1A1 (0.57) PTK2HPGDS
SCHEMBL17017327 0.76 PRMT1 (0.37) PTK2
SCHEMBL22346237 0.75 HDAC6 (0.62) PTK2HDAC6TTBK1TTBK2HPGDS
SCHEMBL28103460 0.75 TTBK1 (0.52) PTK2HDAC6TTBK1TTBK2HPGDS
SCHEMBL4354437 0.74 JAK2 (0.68) HDAC6TTBK1TTBK2
SCHEMBL16266363 0.73 TTBK1 (0.61) HDAC6TTBK1TTBK2TNNI3K
SCHEMBL24804993 0.72 HDAC6 (0.66) PTK2HDAC6TTBK1TTBK2
SCHEMBL28762132 0.72 TTBK1 (0.56) HDAC6TTBK1TTBK2HPGDS

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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 PTK2 3480/4885HDAC6 577/4885TTBK1 635/4885

“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.