SCHEMBL2820867

SCHEMBL2820867

CN1CCC(=O)N(c2ccc(N)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
AKR1C3 P42330 1/20 0.38
RPS6KA3 P51812 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
GFER P55789 1/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL2820372 0.86 SLC6A2 (0.44) HPGDAKR1C3RPS6KA3KMT2AKDM4E
SCHEMBL20203460 0.81 HPGD (0.39) HPGDAKR1C3KMT2AHRH3NPC1
SCHEMBL31035634 0.81 ALDH1A1 (0.51) HPGDAKR1C3KMT2AALDH1A1GAA
SCHEMBL1269266 0.81 ALDH1A1 (0.51) HPGDAKR1C3KMT2AALDH1A1GAA
SCHEMBL2343208 0.80 AKR1C3 (0.49) HPGDAKR1C3KMT2AALDH1A1HRH3
SCHEMBL30962721 0.79 KMT2A (0.56) HPGDAKR1C3KMT2AKDM4EALDH1A1
SCHEMBL2824093 0.78 TRPC6 (0.40) HPGDAKR1C3KDM4EALDH1A1GAA
SCHEMBL12279805 0.78 AKR1C3 (0.50) HPGDAKR1C3KMT2AALDH1A1HRH3
SCHEMBL29664444 0.77 MAPT (0.58) RPS6KA3KMT2AKDM4EALDH1A1GAA
SCHEMBL521324 0.77 MAPT (0.58) RPS6KA3KMT2AKDM4EALDH1A1GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 EP disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 WO disclosed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 US disclosed
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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 (4 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 HPGD 1773/4885AKR1C3 1805/4885RPS6KA3 2527/4885
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 HPGD 1256/4885AKR1C3 2241/4885RPS6KA3 419/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 HPGD 3523/4885AKR1C3 1540/4885RPS6KA3 2421/4885
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 HPGD 2538/4885AKR1C3 1680/4885RPS6KA3 2272/4885

“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.