Sugi Predict

Sugi Predict / Compounds / SCHEMBL183315

SCHEMBL183315

SCHEMBL183315

CCn1cnc2c(Nc3ccc(Cl)cc3)nc(Cl)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.61
▸ NPC1 O15118 2/20 0.55
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ CDK1 P06493 7/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ PDGFRA P16234 2/20 0.53
▸ CCNE1 P24864 2/20 0.53
▸ PRKCA P17252 1/20 0.52
▸ CDK5 Q00535 2/20 0.51
▸ CDK5R1 Q15078 2/20 0.51

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
SCHEMBL5840144 0.90 CDK1 (0.65) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL3379300 0.90 YTHDC1 (0.60) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL6576992 0.87 SRC (0.56) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL244036 0.86 SRC (0.55) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL183059 0.86 CDK2 (0.54) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL29444624 0.85 NPC1 (0.74) NPC1CDK1CDK2PDGFRACCNE1
SCHEMBL3352454 0.85 NPC1 (0.74) NPC1CDK1CDK2PDGFRACCNE1
SCHEMBL4847263 0.85 SRC (0.57) SRCNPC1CDK1CDK2PDGFRA
SCHEMBL6574754 0.85 ADORA2A (0.58) SRCNPC1HDAC3HDAC4HDAC1
SCHEMBL183271 0.85 HDAC1 (0.52) SRCNPC1HDAC3HDAC4HDAC1

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 36 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
EP-1532148-B1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2007-01-17 — — EP disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 — — US disclosed
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example ASTRAZENECA AB (SE) 2005-09-15 — — US disclosed
EP-1532148-A1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AstraZeneca AB (SE) 2005-05-25 — — EP disclosed
WO-2004000843-A1 NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2003-12-31 — — WO disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 — — EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 — — CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 — — CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 — — EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 — — 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 SRC 3194/4885NPC1 911/4885HDAC3 1675/4885
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example CTSB, CTSL, CTSS SRC 2532/4885NPC1 443/4885HDAC3 873/4885

“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.