SCHEMBL2823299

SCHEMBL2823299

Nc1ccc(-c2cccnc2)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.73
▸ DYRK1B Q9Y463 2/20 0.73
▸ CYP2A6 P11509 8/20 0.62
▸ CYP3A4 P08684 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2E1 P05181 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2B6 P20813 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ MAP4K4 O95819 1/20 0.58
▸ MKNK1 Q9BUB5 3/20 0.55
▸ MKNK2 Q9HBH9 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ PSIP1 O75475 1/20 0.55
▸ AXL P30530 1/20 0.55
▸ PIK3CD O00329 1/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50

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
SCHEMBL30142957 1.00 DYRK1A (0.73) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1
SCHEMBL29992735 1.00 DYRK1A (0.73) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4832941 0.98 DYRK1A (0.71) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1
SCHEMBL1256370 0.87 DYRK1A (0.58) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1
SCHEMBL1257460 0.82 PIK3CD (0.73) DYRK1ADYRK1BALDH1A1CYP1A2MAP4K4
SCHEMBL29740321 0.82 PIK3CD (0.73) DYRK1ADYRK1BALDH1A1CYP1A2MAP4K4
SCHEMBL10918242 0.81 CYP2A6 (0.65) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1
SCHEMBL29568613 0.80 MAP4K4 (0.64) DYRK1ADYRK1BCYP3A4ALDH1A1CYP1A2
SCHEMBL68829 0.80 MAP4K4 (0.64) DYRK1ADYRK1BCYP3A4ALDH1A1CYP1A2
SCHEMBL24534338 0.79 CYP2A6 (0.88) DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 — — US disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 — — CN disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 — — US disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 — — US disclosed
EP-3822258-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO LTD (KR) 2022-06-15 — — EP disclosed
EP-3911640-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2021-11-24 — — EP disclosed
EP-3911648-A2 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2021-11-24 — — EP disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 — — US disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 — — US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 — — US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 — — US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 — — US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 — — EP disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 — — US disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES 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
US-4448780-A N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1984-05-15 — — US disclosed
US-4420617-A 5(Pyridinyl)pyridin-2-amines STERLING DRUG INC. (US) 1983-12-13 — — 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 (8 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 DYRK1A 2978/4885DYRK1B 3156/4885CYP2A6 3440/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 DYRK1A 4875/4885DYRK1B 4864/4885CYP2A6 53/4885
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 DYRK1A 2097/4885DYRK1B 2539/4885CYP2A6 3061/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 DYRK1A 4875/4885DYRK1B 4864/4885CYP2A6 53/4885
US-11434245-B2 WNT pathway modulators WNT1, WNT3A, WNT3 DYRK1A 388/4885DYRK1B 407/4885CYP2A6 1650/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 DYRK1A 2438/4885DYRK1B 2862/4885CYP2A6 3880/4885
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 DYRK1A 3511/4885DYRK1B 3828/4885CYP2A6 3815/4885
US-20210047336-A1 WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 DYRK1A 878/4885DYRK1B 1220/4885CYP2A6 745/4885

“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.

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