SCHEMBL183275

SCHEMBL183275

c1ncc2[nH]c(-c3cc[nH]n3)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.60
METAP2 P50579 4/20 0.60
NPY5R Q15761 1/20 0.39
ENPP1 P22413 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PRMT5 O14744 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
PDE5A O76074 1/20 0.31
AURKA O14965 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 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
SCHEMBL7035590 0.78 METAP1 (0.72) METAP1METAP2NPY5RPTGDR2ADORA3
SCHEMBL4924097 0.75 METAP2 (1.00) METAP1METAP2AURKAPI4KAPI4K2B
SCHEMBL381110 0.75 METAP1 (0.56) METAP1METAP2NPY5RPTGDR2PRMT5
SCHEMBL680854 0.72 METAP2 (0.65) METAP1METAP2NPY5RPTGDR2PRMT5
SCHEMBL2045300 0.72 METAP1 (0.60) METAP1METAP2NPY5RENPP1PTGDR2
SCHEMBL4590422 0.72 METAP2 (0.40) METAP1METAP2NPY5RENPP1
Hydrochloric Acid SCHEMBL4456676 0.71 METAP2 (0.63) METAP1METAP2NPY5RPTGDR2PRMT5
SCHEMBL4875487 0.70 METAP1 (0.67) METAP1METAP2NPY5RPTGDR2PDE5A
SCHEMBL369485 0.70 METAP2 (0.61) METAP1METAP2NPY5RADORA3ADORA2A
SCHEMBL30983911 0.70 METAP2 (0.54) METAP1METAP2NPY5RPTGDR2PRMT5

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010522722-A 2010-07-08 JP claimed
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US claimed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP claimed
WO-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO claimed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
US-8268838-B2 Substituted purinyl-pyrazole derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2012-09-18 US disclosed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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 (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-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885

“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.