SCHEMBL2201994

SCHEMBL2201994

COc1cc(B(O)O)c2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
ENPP2 Q13822 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
NQO1 P15559 1/20 0.44
NQO2 P16083 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42

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
SCHEMBL29955307 1.00 CDC25B (0.50) CDC25BCYP1A2CYP2A6ENPP2CASP3
SCHEMBL29469023 1.00 CDC25B (0.50) CDC25BCYP1A2CYP2A6ENPP2CASP3
SCHEMBL29043558 0.83 CDC25B (0.44) CDC25BCYP1A2CYP2A6ENPP2CASP3
SCHEMBL29955414 0.81 CYP1A2 (0.52) CYP1A2CYP2A6ENPP2CA1CA2
SCHEMBL4080967 0.81 CYP1A2 (0.52) CYP1A2CYP2A6ENPP2CA1CA2
SCHEMBL25991555 0.81 GRM5 (0.37) CDC25BCYP1A2CYP2A6ENPP2NQO1
SCHEMBL30182306 0.81 GRM5 (0.37) CDC25BCYP1A2CYP2A6ENPP2NQO1
SCHEMBL4080396 0.80 L3MBTL1 (0.41) NQO1MAPT
SCHEMBL29957321 0.79 NPC1 (0.37) CDC25BCYP1A2CYP2A6ERN1MAPT
SCHEMBL29951136 0.79 ACP1 (0.41) CDC25BERN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-20250362134-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-11-27 US disclosed
US-20250057817-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-02-20 US disclosed
CN-114057744-B Process for preparing KRAS G12C inhibitors imidazotriazines and pyrrolopyrimidine derivatives 百济神州(北京)生物科技有限公司 2025-01-17 CN disclosed
CN-114057743-B Process for preparing KRAS G12C inhibitors imidazotriazines and pyrrolopyrimidine derivatives 百济神州(北京)生物科技有限公司 2025-01-07 CN disclosed
CN-116113416-B Tetracyclic derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2024-11-22 CN disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 US disclosed
CN-115626923-B KRAS G12C inhibitors and methods of use thereof 美国安进公司 2024-08-02 CN disclosed
US-20240254129-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-08-01 US disclosed
US-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-05-30 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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 (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-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CDC25B 438/4885CYP1A2 4727/4885CYP2A6 4480/4885
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP CDC25B 2730/4885CYP1A2 586/4885CYP2A6 1106/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS CDC25B 452/4885CYP1A2 4159/4885CYP2A6 3178/4885
US-20250057817-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CDC25B 438/4885CYP1A2 4727/4885CYP2A6 4480/4885
US-20240254129-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS CDC25B 965/4885CYP1A2 4766/4885CYP2A6 4792/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CDC25B 438/4885CYP1A2 4727/4885CYP2A6 4480/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CDC25B 136/4885CYP1A2 4094/4885CYP2A6 2913/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CDC25B 456/4885CYP1A2 4446/4885CYP2A6 3105/4885

“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.