SCHEMBL183098

SCHEMBL183098

Cn1cnc2c(Nc3ccc(Cl)cc3)nc(Cl)nc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.64
KCNN3 Q9UGI6 2/20 0.63
KCNN2 Q9H2S1 1/20 0.63
CDK1 P06493 3/20 0.55
CDK5 Q00535 5/20 0.54
CDK5R1 Q15078 5/20 0.54
CDK2 P24941 5/20 0.54
CCNA2 P20248 4/20 0.54
CCNA1 P78396 4/20 0.54
DYRK1A Q13627 4/20 0.54
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL183282 0.89 YTHDC1 (0.61) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183397 0.89 YTHDC1 (0.61) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183230 0.89 CDK1 (0.66) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183231 0.87 CDK2 (0.70) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183294 0.85 YTHDC1 (0.57) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL19500157 0.85 YTHDC1 (0.57) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL246017 0.85 YTHDC1 (0.57) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183272 0.85 YTHDC1 (0.57) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183642 0.85 YTHDC1 (0.59) YTHDC1KCNN3KCNN2CDK1CDK5
SCHEMBL183297 0.84 KCNN3 (0.58) YTHDC1KCNN3KCNN2CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
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
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-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
CN-101646669-B Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS 2013-09-04 CN disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
WO-2010034707-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-01 WO disclosed
WO-2010034707-A1 SUBSTITUTED PURINYL-PYRAZOL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-01 WO disclosed
CN-101646669-A Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH AS DK 2010-02-10 CN disclosed
EP-2142545-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2142546-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO 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-2008116910-A1 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 YTHDC1 3259/4885KCNN3 15/4885KCNN2 5/4885
US-20100105705-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 YTHDC1 3259/4885KCNN3 15/4885KCNN2 5/4885

“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.